| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.1 | Low | 69.1 | Low | 164 Ų | 164 | 108.7 Ų | 108.7 | 81% | 0.808 | 58% | 0.582 | S | S | * | * | 0 | 21 | 0 | -68.8 | -66.3 | -99.5 | 0 | 0 | 113.8 | P3 T19 | M1-P3 WeakPolarHBondContact O-CD 3.31Å; M1-T19 HydrophobicContact SD-CG2 4.49Å | |||
| 2 | Q | 66.2 | Low | 68.4 | Low | 147 Ų | 147 | 101.1 Ų | 101.1 | 69% | 0.687 | 54% | 0.543 | S | S | * | . | trans | -70.4 | 122 | 171.4 | -98 | -176.8 | -19.7 | 0 | 0 | 109.6 | L4 T19 | Q2-L4 PolarHBondContact O-N 3.08Å; Q2-T19 WeakPolarHBondContact O-CA 3.25Å; Q2-T19 WeakPolarHBondContact O-CB 3.19Å | ||
| 3 | P | 71.3 | Confident | 68 | Low | 94 Ų | 94 | 96.7 Ų | 96.7 | 61% | 0.61 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 121.8 | 178.8 | 29.3 | -32.1 | 0 | 0 | 0 | 110.3 | M1 I17 V18 | M1-P3 WeakPolarHBondContact O-CD 3.31Å; P3-I17 HydrophobicContact CB-CG2 3.66Å; P3-V18 CarbonylContact C-O 3.47Å; P3-V18 WeakPolarHBondContact CA-O 3.35Å |
| 4 | L | 80 | Confident | 68.1 | Low | 106 Ų | 106 | 91.6 Ų | 91.6 | 56% | 0.555 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -27.9 | 170.8 | -76.1 | 173.5 | 0 | 0 | 0 | 112.3 | Q2 V18 | Q2-L4 PolarHBondContact O-N 3.08Å; L4-V18 HydrophobicContact CB-CG1 4.39Å; L4-V18 PolarHBondContact N-O 3.5Å |
| 5 | G | 79.9 | Confident | 68.3 | Low | 32 Ų | 32 | 86.8 Ų | 86.8 | 33% | 0.33 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | 170.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V18 | G5-V18 PolarHBondContact N-O 3.16Å; G5-V18 PolarHBondContact O-N 2.88Å |
| 6 | L | 79.5 | Confident | 68.6 | Low | 116 Ų | 116 | 81.5 Ų | 81.5 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.7 | 174.6 | -66.6 | 166.8 | 0 | 0 | 0 | 109.7 | F8 G16 I17 | L6-F8 HydrophobicContact CB-CD2 4.23Å; L6-F8 HydrophobicContact CB-CE2 3.66Å; L6-F8 HydrophobicContact CB-CZ 4.47Å; L6-F8 HydrophobicContact CD1-CE2 4.15Å; L6-F8 HydrophobicContact CG-CE2 4.42Å; L6-G16 CarbonylContact C-O 3.56Å; L6-G16 VanDerWaalsContact CA-O 3.31Å; L6-G16 WeakPolarHBondContact CA-O 3.2Å; L6-I17 HydrophobicContact CD2-CG1 3.8Å |
| 7 | L | 74.4 | Confident | 69.3 | Low | 87 Ų | 87 | 79.6 Ų | 79.6 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.9 | -179.9 | -140.3 | 129.9 | 0 | 0 | 0 | 108.4 | P9 A15 G16 V18 | L7-P9 HydrophobicContact CD2-CG 4.31Å; L7-P9 WeakPolarHBondContact O-CD 3.13Å; L7-A15 CarbonylContact O-C 3.5Å; L7-G16 PolarHBondContact N-O 2.77Å; L7-G16 PolarHBondContact O-N 3.17Å; L7-V18 HydrophobicContact CB-CG2 4.45Å; L7-V18 HydrophobicContact CD1-CG2 3.75Å |
| 8 | F | 72 | Confident | 69.8 | Low | 143 Ų | 143 | 77.3 Ų | 77.3 | 63% | 0.627 | 43% | 0.426 | S | S | * | . | trans | -115.7 | 77.7 | 177.2 | -70 | -84.1 | 0 | 0 | 0 | 110.1 | L6 E10 A15 | L6-F8 HydrophobicContact CB-CD2 4.23Å; L6-F8 HydrophobicContact CB-CE2 3.66Å; L6-F8 HydrophobicContact CB-CZ 4.47Å; L6-F8 HydrophobicContact CD1-CE2 4.15Å; L6-F8 HydrophobicContact CG-CE2 4.42Å; F8-E10 PolarHBondContact O-N 3.47Å; F8-E10 VanDerWaalsContact O-N 3.12Å; F8-A15 HydrophobicContact CD1-CB 3.81Å; F8-A15 HydrophobicContact CE1-CB 3.44Å; F8-A15 VanDerWaalsContact CE1-CB 3.44Å; F8-A15 HydrophobicContact CZ-CB 4.2Å | ||
| 9 | P | 65.6 | Low | 70.3 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 20% | 0.195 | 41% | 0.406 | C | S | . | . | trans | -67.1 | 109.2 | 177.8 | 26.1 | -31.9 | 0 | 0 | 0 | 110.7 | L7 S11 S12 F14 | L7-P9 HydrophobicContact CD2-CG 4.31Å; L7-P9 WeakPolarHBondContact O-CD 3.13Å; P9-S11 PolarHBondContact O-N 2.72Å; P9-S12 VanDerWaalsContact CB-OG 3.3Å; P9-S12 WeakPolarHBondContact CB-OG 3.41Å; P9-S12 WeakPolarHBondContact CG-OG 3.48Å; P9-S12 PolarHBondContact O-N 3.44Å; P9-S12 VanDerWaalsContact O-N 3.16Å; P9-F14 VanDerWaalsContact CD-O 3.32Å; P9-F14 WeakPolarHBondContact CD-O 3.29Å; P9-F14 HydrophobicContact CG-CD2 4.35Å; P9-F14 HydrophobicContact CG-CE2 4.02Å; P9-F14 HydrophobicContact CG-CZ 4.29Å | ||
| 10 | E | 59.4 | Low | 70.5 | Confident | 177 Ų | 177 | 77 Ų | 77 | 83% | 0.827 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.1 | 178.8 | -70.1 | -173.6 | 162.1 | 0 | 0 | 112.9 | F8 K270 | F8-E10 PolarHBondContact O-N 3.47Å; F8-E10 VanDerWaalsContact O-N 3.12Å; E10-K270 VanDerWaalsContact O-CE 3.26Å; E10-K270 WeakPolarHBondContact O-CE 3.47Å; E10-K270 PolarHBondContact O-NZ 3.34Å |
| 11 | S | 59.1 | Low | 70.6 | Confident | 100 Ų | 100 | 78.4 Ų | 78.4 | 70% | 0.699 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -17.2 | -177.6 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | P9 | P9-S11 PolarHBondContact O-N 2.72Š|
| 12 | S | 60.4 | Low | 71.4 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 12% | 0.119 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -2.5 | -167.2 | 67.9 | 0 | 0 | 0 | 0 | 116.7 | P9 F14 G272 | P9-S12 VanDerWaalsContact CB-OG 3.3Å; P9-S12 WeakPolarHBondContact CB-OG 3.41Å; P9-S12 WeakPolarHBondContact CG-OG 3.48Å; P9-S12 PolarHBondContact O-N 3.44Å; P9-S12 VanDerWaalsContact O-N 3.16Å; S12-F14 VanDerWaalsContact C-N 3.29Å; S12-F14 VanDerWaalsContact O-CD1 3.25Å; S12-F14 WeakPolarHBondContact O-CD1 3.3Å; S12-F14 PolarHBondContact O-N 2.78Å; S12-F14 WeakPolarHBondContact OG-CD1 3.1Å; S12-F14 WeakPolarHBondContact OG-CE1 3.31Å; S12-F14 VanDerWaalsContact OG-CZ 3.29Å; S12-F14 WeakPolarHBondContact OG-CZ 3.23Å; S12-G272 PolarHBondContact O-N 3Å |
| 13 | A | 63.6 | Low | 71.7 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | trans | 54.7 | 33.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K270 | A13-K270 HydrophobicContact CB-CB 3.47Å; A13-K270 VanDerWaalsContact CB-CB 3.47Å; A13-K270 HydrophobicContact CB-CD 3.73Å; A13-K270 HydrophobicContact CB-CG 4.22Å | ||
| 14 | F | 68.2 | Low | 71.8 | Confident | 25 Ų | 25 | 73.5 Ų | 73.5 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | trans | -133.9 | 148.2 | 166.4 | 58.8 | -99.4 | 0 | 0 | 0 | 109 | P9 S12 A25 F147 I151 F271 | P9-F14 VanDerWaalsContact CD-O 3.32Å; P9-F14 WeakPolarHBondContact CD-O 3.29Å; P9-F14 HydrophobicContact CG-CD2 4.35Å; P9-F14 HydrophobicContact CG-CE2 4.02Å; P9-F14 HydrophobicContact CG-CZ 4.29Å; S12-F14 VanDerWaalsContact C-N 3.29Å; S12-F14 VanDerWaalsContact O-CD1 3.25Å; S12-F14 WeakPolarHBondContact O-CD1 3.3Å; S12-F14 PolarHBondContact O-N 2.78Å; S12-F14 WeakPolarHBondContact OG-CD1 3.1Å; S12-F14 WeakPolarHBondContact OG-CE1 3.31Å; S12-F14 VanDerWaalsContact OG-CZ 3.29Å; S12-F14 WeakPolarHBondContact OG-CZ 3.23Å; F14-A25 HydrophobicContact CD2-CB 4.07Å; F14-A25 HydrophobicContact CE2-CB 4.45Å; F14-F147 HydrophobicContact CE2-CE1 4.44Å; F14-F147 HydrophobicContact CZ-CE1 4.1Å; F14-I151 HydrophobicContact CE1-CD1 4.16Å; F14-I151 HydrophobicContact CE2-CD1 4.39Å; F14-I151 HydrophobicContact CZ-CD1 3.86Å; F14-F271 HydrophobicContact CD1-CD1 4.22Å; F14-F271 AromaticContact CE1-CD1 3.88Å; F14-F271 HydrophobicContact CE1-CD1 3.88Å | ||
| 15 | A | 72.4 | Confident | 71.5 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 138.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L7 F8 I26 | L7-A15 CarbonylContact O-C 3.5Å; F8-A15 HydrophobicContact CD1-CB 3.81Å; F8-A15 HydrophobicContact CE1-CB 3.44Å; F8-A15 VanDerWaalsContact CE1-CB 3.44Å; F8-A15 HydrophobicContact CZ-CB 4.2Å; A15-I26 HydrophobicContact CB-CB 4.24Å; A15-I26 HydrophobicContact CB-CD1 4.02Å; A15-I26 WeakPolarHBondContact O-CB 3.46Å; A15-I26 PolarHBondContact O-N 2.78Å |
| 16 | G | 72.5 | Confident | 71.2 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L6 L7 V24 | L6-G16 CarbonylContact C-O 3.56Å; L6-G16 VanDerWaalsContact CA-O 3.31Å; L6-G16 WeakPolarHBondContact CA-O 3.2Å; L7-G16 PolarHBondContact N-O 2.77Å; L7-G16 PolarHBondContact O-N 3.17Å; G16-V24 CarbonylContact C-O 3.42Å; G16-V24 VanDerWaalsContact CA-O 3.24Å; G16-V24 WeakPolarHBondContact CA-O 3.25Å |
| 17 | I | 79.8 | Confident | 70.6 | Confident | 49 Ų | 49 | 69 Ų | 69 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123 | 165.8 | -54.5 | 170.4 | 0 | 0 | 0 | 107.2 | P3 L6 V24 I26 | P3-I17 HydrophobicContact CB-CG2 3.66Å; L6-I17 HydrophobicContact CD2-CG1 3.8Å; I17-V24 HydrophobicContact CB-CB 4.21Å; I17-V24 PolarHBondContact N-O 2.74Å; I17-V24 PolarHBondContact O-N 2.92Å; I17-I26 HydrophobicContact CD1-CD1 4.08Å; I17-I26 HydrophobicContact CD1-CG1 4.44Å; I17-I26 HydrophobicContact CG1-CD1 4.04Å; I17-I26 HydrophobicContact CG1-CG1 4.48Å |
| 18 | V | 79.5 | Confident | 70.2 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.9 | 175 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | P3 L4 G5 L7 | P3-V18 CarbonylContact C-O 3.47Å; P3-V18 WeakPolarHBondContact CA-O 3.35Å; L4-V18 HydrophobicContact CB-CG1 4.39Å; L4-V18 PolarHBondContact N-O 3.5Å; G5-V18 PolarHBondContact N-O 3.16Å; G5-V18 PolarHBondContact O-N 2.88Å; L7-V18 HydrophobicContact CB-CG2 4.45Å; L7-V18 HydrophobicContact CD1-CG2 3.75Å |
| 19 | T | 78.9 | Confident | 69.7 | Low | 8 Ų | 8 | 63.8 Ų | 63.8 | 5% | 0.049 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 176.7 | 168.2 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | M1 Q2 D21 R22 | M1-T19 HydrophobicContact SD-CG2 4.49Å; Q2-T19 WeakPolarHBondContact O-CA 3.25Å; Q2-T19 WeakPolarHBondContact O-CB 3.19Å; T19-D21 PolarHBondContact O-N 2.89Å; T19-D21 VanDerWaalsContact O-N 3.08Å; T19-D21 PolarHBondContact OG1-OD1 3.3Å; T19-R22 PolarHBondContact N-O 3.4Å; T19-R22 WeakPolarHBondContact OG1-CB 3.2Å; T19-R22 PolarHBondContact OG1-N 3.46Å; T19-R22 PolarHBondContact OG1-O 3.45Å |
| 20 | H | 73.9 | Confident | 69.2 | Low | 140 Ų | 140 | 70.4 Ų | 70.4 | 65% | 0.648 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -54.9 | -25.3 | 176.5 | -75.9 | -73.5 | 0 | 0 | 0 | 114.4 | ||
| 21 | D | 72.3 | Confident | 68.8 | Low | 107 Ų | 107 | 65.4 Ų | 65.4 | 57% | 0.572 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -133.1 | -10.3 | -167.6 | 64.1 | -36.4 | 0 | 0 | 0 | 114.2 | T19 | T19-D21 PolarHBondContact O-N 2.89Å; T19-D21 VanDerWaalsContact O-N 3.08Å; T19-D21 PolarHBondContact OG1-OD1 3.3Å |
| 22 | R | 71.3 | Confident | 68.5 | Low | 158 Ų | 158 | 63 Ų | 63 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | trans | -144.1 | 155.6 | -171.9 | -56.6 | 177.6 | -168.3 | -155.2 | -5.9 | 112.8 | T19 | T19-R22 PolarHBondContact N-O 3.4Å; T19-R22 WeakPolarHBondContact OG1-CB 3.2Å; T19-R22 PolarHBondContact OG1-N 3.46Å; T19-R22 PolarHBondContact OG1-O 3.45Å | ||
| 23 | I | 71.6 | Confident | 68.2 | Low | 96 Ų | 96 | 62.6 Ų | 62.6 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 115.9 | 165.5 | -57.9 | 173.3 | 0 | 0 | 0 | 107 | F147 | I23-F147 HydrophobicContact CD1-CE2 4.12Å; I23-F147 HydrophobicContact CD1-CZ 4.41Å; I23-F147 HydrophobicContact CG2-CZ 4.04Å |
| 24 | V | 74.4 | Confident | 67.4 | Low | 49 Ų | 49 | 64.8 Ų | 64.8 | 30% | 0.297 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 112.3 | 179.6 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | G16 I17 | G16-V24 CarbonylContact C-O 3.42Å; G16-V24 VanDerWaalsContact CA-O 3.24Å; G16-V24 WeakPolarHBondContact CA-O 3.25Å; I17-V24 HydrophobicContact CB-CB 4.21Å; I17-V24 PolarHBondContact N-O 2.74Å; I17-V24 PolarHBondContact O-N 2.92Å |
| 25 | A | 72.7 | Confident | 66.3 | Low | 34 Ų | 34 | 68.8 Ų | 68.8 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 126.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | F14 V27 | F14-A25 HydrophobicContact CD2-CB 4.07Å; F14-A25 HydrophobicContact CE2-CB 4.45Å; A25-V27 HydrophobicContact CB-CG2 4.38Å |
| 26 | I | 74.2 | Confident | 65.1 | Low | 89 Ų | 89 | 70 Ų | 70 | 46% | 0.456 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 112 | 173.5 | -57 | 169.4 | 0 | 0 | 0 | 107.1 | A15 I17 | A15-I26 HydrophobicContact CB-CB 4.24Å; A15-I26 HydrophobicContact CB-CD1 4.02Å; A15-I26 WeakPolarHBondContact O-CB 3.46Å; A15-I26 PolarHBondContact O-N 2.78Å; I17-I26 HydrophobicContact CD1-CD1 4.08Å; I17-I26 HydrophobicContact CD1-CG1 4.44Å; I17-I26 HydrophobicContact CG1-CD1 4.04Å; I17-I26 HydrophobicContact CG1-CG1 4.48Å |
| 27 | V | 67.4 | Low | 63.9 | Low | 37 Ų | 37 | 70.9 Ų | 70.9 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | trans | -127.6 | 129.8 | 177.4 | -172.1 | 0 | 0 | 0 | 0 | 108 | A25 L29 L275 | A25-V27 HydrophobicContact CB-CG2 4.38Å; V27-L29 VanDerWaalsContact C-N 3.3Å; V27-L29 HydrophobicContact CB-CD2 4.35Å; V27-L29 HydrophobicContact CB-CG 4.18Å; V27-L29 HydrophobicContact CG1-CD2 3.69Å; V27-L29 HydrophobicContact CG1-CG 4.01Å; V27-L29 PolarHBondContact O-N 3.28Å; V27-L275 HydrophobicContact CB-CD2 4.26Å; V27-L275 HydrophobicContact CG1-CD2 3.7Å; V27-L275 HydrophobicContact CG2-CD2 3.8Å | ||
| 28 | D | 65.7 | Low | 62.3 | Low | 97 Ų | 97 | 70.4 Ų | 70.4 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | trans | -79.3 | 83.6 | 174.2 | -172.4 | 9.1 | 0 | 0 | 0 | 110.3 | R30 T31 | D28-R30 PolarHBondContact OD1-N 3.46Å; D28-T31 PolarHBondContact OD1-N 3.26Å; D28-T31 PolarHBondContact OD1-OG1 2.9Å; D28-T31 VanDerWaalsContact OD2-CG2 3.25Å; D28-T31 WeakPolarHBondContact OD2-CG2 3.23Å; D28-T31 PolarHBondContact OD2-OG1 3.43Å | ||
| 29 | L | 60.8 | Low | 60.5 | Low | 23 Ų | 23 | 71.9 Ų | 71.9 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | trans | -81.1 | -30.1 | 176.3 | -68.7 | -177.8 | 0 | 0 | 0 | 111.7 | V27 T31 C32 Y33 A158 | V27-L29 VanDerWaalsContact C-N 3.3Å; V27-L29 HydrophobicContact CB-CD2 4.35Å; V27-L29 HydrophobicContact CB-CG 4.18Å; V27-L29 HydrophobicContact CG1-CD2 3.69Å; V27-L29 HydrophobicContact CG1-CG 4.01Å; V27-L29 PolarHBondContact O-N 3.28Å; L29-T31 PolarHBondContact O-N 2.84Å; L29-C32 PolarHBondContact O-N 2.99Å; L29-Y33 HydrophobicContact CB-CD2 3.71Å; L29-Y33 HydrophobicContact CB-CE2 3.49Å; L29-Y33 VanDerWaalsContact CB-CE2 3.49Å; L29-Y33 HydrophobicContact CD1-CE2 4.03Å; L29-Y33 HydrophobicContact CD2-CE2 3.56Å; L29-Y33 HydrophobicContact CG-CE2 3.84Å; L29-Y33 WeakPolarHBondContact O-CD2 3.32Å; L29-Y33 PolarHBondContact O-N 3.34Å; L29-A158 HydrophobicContact CD1-CB 4.27Å | ||
| 30 | R | 54.8 | Low | 58.4 | Low | 168 Ų | 168 | 76 Ų | 76 | 63% | 0.634 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.7 | -47.2 | -176.7 | -89.9 | -176.1 | 177.5 | -170.3 | -4.8 | 111.8 | D28 C32 F34 | D28-R30 PolarHBondContact OD1-N 3.46Å; R30-C32 VanDerWaalsContact C-N 3.3Å; R30-C32 PolarHBondContact O-N 2.57Å; R30-F34 VanDerWaalsContact O-CB 3.22Å; R30-F34 WeakPolarHBondContact O-CB 3.49Å; R30-F34 WeakPolarHBondContact O-CD2 3.44Å; R30-F34 PolarHBondContact O-N 3.24Å |
| 31 | T | 51.4 | Low | 56.7 | Low | 73 Ų | 73 | 75.5 Ų | 75.5 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.1 | -28 | 179.4 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | D28 L29 N35 | D28-T31 PolarHBondContact OD1-N 3.26Å; D28-T31 PolarHBondContact OD1-OG1 2.9Å; D28-T31 VanDerWaalsContact OD2-CG2 3.25Å; D28-T31 WeakPolarHBondContact OD2-CG2 3.23Å; D28-T31 PolarHBondContact OD2-OG1 3.43Å; L29-T31 PolarHBondContact O-N 2.84Å; T31-N35 PolarHBondContact O-ND2 3.49Å |
| 32 | C | 52.2 | Low | 55.1 | Low | 49 Ų | 49 | 75.7 Ų | 75.7 | 33% | 0.331 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -79.8 | -40.1 | 178.8 | -68.2 | 0 | 0 | 0 | 0 | 112.3 | L29 R30 L36 P276 | L29-C32 PolarHBondContact O-N 2.99Å; R30-C32 VanDerWaalsContact C-N 3.3Å; R30-C32 PolarHBondContact O-N 2.57Å; C32-L36 WeakPolarHBondContact O-CD1 3.37Å; C32-P276 HydrophobicContact CB-CB 3.8Å; C32-P276 HydrophobicContact CB-CG 4.17Å |
| 33 | Y | 54.2 | Low | 53.4 | Low | 8 Ų | 8 | 74.9 Ų | 74.9 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -88.5 | -27.3 | -175.4 | -58.9 | -45 | 0 | 0 | 0 | 114.3 | L29 N35 L36 F159 V279 | L29-Y33 HydrophobicContact CB-CD2 3.71Å; L29-Y33 HydrophobicContact CB-CE2 3.49Å; L29-Y33 VanDerWaalsContact CB-CE2 3.49Å; L29-Y33 HydrophobicContact CD1-CE2 4.03Å; L29-Y33 HydrophobicContact CD2-CE2 3.56Å; L29-Y33 HydrophobicContact CG-CE2 3.84Å; L29-Y33 WeakPolarHBondContact O-CD2 3.32Å; L29-Y33 PolarHBondContact O-N 3.34Å; Y33-N35 VanDerWaalsContact C-N 3.35Å; Y33-L36 HydrophobicContact CD1-CD1 4.28Å; Y33-L36 PolarHBondContact O-N 2.81Å; Y33-F159 AromaticContact CD1-CD2 3.47Å; Y33-F159 HydrophobicContact CD1-CD2 3.47Å; Y33-F159 VanDerWaalsContact CD1-CD2 3.47Å; Y33-F159 AromaticContact CD1-CE2 3.48Å; Y33-F159 HydrophobicContact CD1-CE2 3.48Å; Y33-F159 VanDerWaalsContact CD1-CE2 3.48Å; Y33-F159 AromaticContact CD2-CD2 3.82Å; Y33-F159 HydrophobicContact CD2-CD2 3.82Å; Y33-F159 AromaticContact CE1-CD2 3.37Å; Y33-F159 HydrophobicContact CE1-CD2 3.37Å; Y33-F159 AromaticContact CE1-CE2 3.66Å; Y33-F159 HydrophobicContact CE1-CE2 3.66Å; Y33-F159 HydrophobicContact CE1-CG 4.34Å; Y33-F159 HydrophobicContact CE2-CB 4.13Å; Y33-F159 AromaticContact CE2-CD2 3.68Å; Y33-F159 HydrophobicContact CE2-CD2 3.68Å; Y33-F159 HydrophobicContact CE2-CG 4.38Å; Y33-F159 AromaticContact CG-CD2 3.73Å; Y33-F159 HydrophobicContact CG-CD2 3.73Å; Y33-F159 AromaticContact CG-CE2 3.99Å; Y33-F159 HydrophobicContact CG-CE2 3.99Å; Y33-F159 AromaticContact CZ-CD2 3.49Å; Y33-F159 VanDerWaalsContact CZ-CD2 3.49Å; Y33-V279 HydrophobicContact CE1-CG1 4.42Å; Y33-V279 WeakPolarHBondContact OH-CB 3.47Å; Y33-V279 VanDerWaalsContact OH-CG1 3.26Å; Y33-V279 WeakPolarHBondContact OH-CG1 3.3Å; Y33-V279 WeakPolarHBondContact OH-CG2 3.14Å |
| 34 | F | 47.8 | Very low | 51.4 | Low | 90 Ų | 90 | 76.6 Ų | 76.6 | 40% | 0.395 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 172.8 | -102.9 | -100.5 | 0 | 0 | 0 | 112.5 | R30 L36 A37 L38 L54 | R30-F34 VanDerWaalsContact O-CB 3.22Å; R30-F34 WeakPolarHBondContact O-CB 3.49Å; R30-F34 WeakPolarHBondContact O-CD2 3.44Å; R30-F34 PolarHBondContact O-N 3.24Å; F34-L36 PolarHBondContact O-N 2.86Å; F34-A37 PolarHBondContact O-N 2.79Å; F34-A37 VanDerWaalsContact O-N 3.15Å; F34-L38 PolarHBondContact O-N 2.86Å; F34-L54 HydrophobicContact CE1-CD1 3.66Å; F34-L54 HydrophobicContact CE1-CD2 3.46Å; F34-L54 VanDerWaalsContact CE1-CD2 3.46Å; F34-L54 HydrophobicContact CE1-CG 4.17Å; F34-L54 HydrophobicContact CZ-CD1 4.3Å; F34-L54 HydrophobicContact CZ-CD2 3.69Å |
| 35 | N | 45.1 | Very low | 50 | Low | 110 Ų | 110 | 77.5 Ų | 77.5 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.2 | -11 | 179.4 | -74.6 | -35.8 | 0 | 0 | 0 | 113.6 | T31 Y33 | T31-N35 PolarHBondContact O-ND2 3.49Å; Y33-N35 VanDerWaalsContact C-N 3.35Å |
| 36 | L | 46.2 | Very low | 48.9 | Very low | 45 Ų | 45 | 79.9 Ų | 79.9 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -93.4 | -17.3 | 174.9 | -80.1 | 150.2 | 0 | 0 | 0 | 113.1 | C32 Y33 F34 L280 | C32-L36 WeakPolarHBondContact O-CD1 3.37Å; Y33-L36 HydrophobicContact CD1-CD1 4.28Å; Y33-L36 PolarHBondContact O-N 2.81Å; F34-L36 PolarHBondContact O-N 2.86Å; L36-L280 HydrophobicContact CD1-CD1 3.58Å; L36-L280 HydrophobicContact CD1-CD2 3.87Å; L36-L280 HydrophobicContact CD1-CG 4.29Å |
| 37 | A | 48.5 | Very low | 47.6 | Very low | 20 Ų | 20 | 82.5 Ų | 82.5 | 17% | 0.165 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -93.6 | -25.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F34 F166 | F34-A37 PolarHBondContact O-N 2.79Å; F34-A37 VanDerWaalsContact O-N 3.15Å; A37-F166 HydrophobicContact CB-CZ 4.18Å |
| 38 | L | 45.4 | Very low | 46.7 | Very low | 39 Ų | 39 | 89.6 Ų | 89.6 | 20% | 0.204 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -132 | 123.4 | 176.9 | -83.7 | 149 | 0 | 0 | 0 | 108.8 | F34 S40 L54 | F34-L38 PolarHBondContact O-N 2.86Å; L38-S40 PolarHBondContact O-N 3.23Å; L38-L54 HydrophobicContact CD1-CD1 4.27Å |
| 39 | P | 40.8 | Very low | 45.9 | Very low | 70 Ų | 70 | 88.4 Ų | 88.4 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | trans | -63.9 | 129.8 | -179.3 | 25.4 | -31.5 | 0 | 0 | 0 | 110.3 | V41 | P39-V41 VanDerWaalsContact C-N 3.28Å; P39-V41 PolarHBondContact O-N 2.61Å | ||
| 40 | S | 36 | Very low | 45.6 | Very low | 95 Ų | 95 | 89.8 Ų | 89.8 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -69.1 | 78.5 | 174.4 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | L38 | L38-S40 PolarHBondContact O-N 3.23Š|
| 41 | V | 37.7 | Very low | 45.9 | Very low | 128 Ų | 128 | 83.1 Ų | 83.1 | 78% | 0.776 | 47% | 0.472 | S | S | * | . | trans | -135.6 | 79.7 | 162.2 | -171.8 | 0 | 0 | 0 | 0 | 106.9 | P39 E43 | P39-V41 VanDerWaalsContact C-N 3.28Å; P39-V41 PolarHBondContact O-N 2.61Å; V41-E43 PolarHBondContact O-N 2.69Å | ||
| 42 | I | 38 | Very low | 46.5 | Very low | 112 Ų | 112 | 83.1 Ų | 83.1 | 57% | 0.574 | 47% | 0.469 | S | S | * | . | trans | -84.5 | 108.5 | 177.6 | -60.5 | 168.4 | 0 | 0 | 0 | 107.1 | E47 | I42-E47 HydrophobicContact CG2-CG 4Š| ||
| 43 | E | 36.4 | Very low | 47.3 | Very low | 140 Ų | 140 | 81 Ų | 81 | 65% | 0.654 | 45% | 0.454 | S | S | * | . | trans | -71.7 | 137 | 156.4 | -76.1 | -165.6 | 169.1 | 0 | 0 | 108.6 | V41 G45 | V41-E43 PolarHBondContact O-N 2.69Å; E43-G45 PolarHBondContact O-N 2.77Å | ||
| 44 | P | 30.5 | Very low | 47.9 | Very low | 133 Ų | 133 | 82.4 Ų | 82.4 | 86% | 0.864 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 96.8 | -177.2 | 28 | -31.6 | 0 | 0 | 0 | 109.8 | ||
| 45 | G | 44.2 | Very low | 49 | Very low | 68 Ų | 68 | 82.7 Ų | 82.7 | 70% | 0.701 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 159.5 | -21.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E43 | E43-G45 PolarHBondContact O-N 2.77Š|
| 46 | E | 49.2 | Very low | 50.4 | Low | 83 Ų | 83 | 77.6 Ų | 77.6 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | trans | -100.8 | 3.3 | -174.6 | -66.3 | -169.1 | 157 | 0 | 0 | 115.1 | K48 L49 | E46-K48 PolarHBondContact O-N 3.42Å; E46-K48 VanDerWaalsContact O-N 3.12Å; E46-L49 PolarHBondContact O-N 2.79Å | ||
| 47 | E | 46.6 | Very low | 51.8 | Low | 145 Ų | 145 | 75.9 Ų | 75.9 | 68% | 0.678 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.5 | -26.1 | -175.6 | -72 | -178.1 | 166.2 | 0 | 0 | 114.7 | I42 | I42-E47 HydrophobicContact CG2-CG 4Å |
| 48 | K | 49.7 | Very low | 53.1 | Low | 186 Ų | 186 | 80 Ų | 80 | 81% | 0.809 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -76.6 | -31 | 175.8 | -89.3 | -176.8 | 172 | -177.8 | 0 | 113.7 | E46 | E46-K48 PolarHBondContact O-N 3.42Å; E46-K48 VanDerWaalsContact O-N 3.12Å |
| 49 | L | 48.9 | Very low | 54.5 | Low | 72 Ų | 72 | 80.2 Ų | 80.2 | 38% | 0.377 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -80.7 | -37.4 | -172.1 | -76.7 | 152.4 | 0 | 0 | 0 | 112.2 | E46 G51 D52 F53 F112 | E46-L49 PolarHBondContact O-N 2.79Å; L49-G51 PolarHBondContact O-N 2.81Å; L49-D52 PolarHBondContact O-N 3.48Å; L49-F53 PolarHBondContact O-N 3.32Å; L49-F112 HydrophobicContact CB-CD2 4.43Å; L49-F112 HydrophobicContact CB-CE1 4.45Å; L49-F112 HydrophobicContact CB-CE2 3.76Å; L49-F112 HydrophobicContact CB-CZ 3.79Å; L49-F112 WeakPolarHBondContact O-CE1 3.37Å; L49-F112 WeakPolarHBondContact O-CZ 3.27Å |
| 50 | N | 53.9 | Low | 56.3 | Low | 51 Ų | 51 | 76.9 Ų | 76.9 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.9 | -24.8 | 174.3 | -76.8 | -21 | 0 | 0 | 0 | 112.9 | L54 | N50-L54 PolarHBondContact O-N 3.41Å |
| 51 | G | 61.3 | Low | 58.2 | Low | 29 Ų | 29 | 73.7 Ų | 73.7 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L49 F53 L54 E55 | L49-G51 PolarHBondContact O-N 2.81Å; G51-F53 PolarHBondContact O-N 3.27Å; G51-L54 PolarHBondContact O-N 2.82Å; G51-E55 WeakPolarHBondContact O-CB 3.32Å; G51-E55 WeakPolarHBondContact O-CG 3.37Å; G51-E55 PolarHBondContact O-N 3.24Å |
| 52 | D | 64.2 | Low | 60 | Low | 73 Ų | 73 | 70.4 Ų | 70.4 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | -178 | -62 | -19.8 | 0 | 0 | 0 | 112.7 | L49 L54 C56 | L49-D52 PolarHBondContact O-N 3.48Å; D52-L54 VanDerWaalsContact C-N 3.35Å; D52-C56 PolarHBondContact O-N 2.85Å; D52-C56 PolarHBondContact O-SG 3.45Å |
| 53 | F | 68.7 | Low | 61.8 | Low | 3 Ų | 3 | 65.4 Ų | 65.4 | 1% | 0.013 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175.7 | -179.3 | -100.7 | 0 | 0 | 0 | 111.7 | L49 G51 C56 L57 F112 F113 C116 M120 | L49-F53 PolarHBondContact O-N 3.32Å; G51-F53 PolarHBondContact O-N 3.27Å; F53-C56 WeakPolarHBondContact O-CB 3.14Å; F53-C56 PolarHBondContact O-N 2.9Å; F53-L57 HydrophobicContact CD1-CD1 4.02Å; F53-L57 HydrophobicContact CE1-CD1 3.39Å; F53-L57 HydrophobicContact CE1-CG 4.17Å; F53-L57 HydrophobicContact CZ-CD1 3.85Å; F53-L57 HydrophobicContact CZ-CG 4.34Å; F53-L57 PolarHBondContact O-N 3.35Å; F53-L57 VanDerWaalsContact O-N 3.14Å; F53-F112 HydrophobicContact CB-CE1 3.95Å; F53-F112 HydrophobicContact CB-CZ 4.36Å; F53-F113 HydrophobicContact CB-CE1 4.48Å; F53-F113 AromaticContact CD2-CD1 3.35Å; F53-F113 HydrophobicContact CD2-CD1 3.35Å; F53-F113 AromaticContact CD2-CE1 3.64Å; F53-F113 HydrophobicContact CD2-CE1 3.64Å; F53-F113 HydrophobicContact CD2-CG 4.41Å; F53-F113 AromaticContact CE2-CD1 3.76Å; F53-F113 HydrophobicContact CE2-CD1 3.76Å; F53-F113 HydrophobicContact CE2-CE1 4.36Å; F53-C116 HydrophobicContact CD1-CB 4.31Å; F53-C116 HydrophobicContact CD2-CB 3.83Å; F53-C116 HydrophobicContact CE1-CB 4.32Å; F53-C116 HydrophobicContact CE2-CB 3.88Å; F53-C116 HydrophobicContact CG-CB 4.08Å; F53-C116 HydrophobicContact CZ-CB 4.13Å; F53-M120 HydrophobicContact CE1-CE 4.37Å; F53-M120 HydrophobicContact CE1-SD 3.42Å; F53-M120 WeakPolarHBondContact CE1-SD 3.36Å; F53-M120 HydrophobicContact CZ-CE 4.48Å; F53-M120 HydrophobicContact CZ-SD 3.72Å |
| 54 | L | 67.4 | Low | 63.7 | Low | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.199 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.5 | -41 | -177.3 | -155.9 | 102.9 | 0 | 0 | 0 | 111.4 | F34 L38 N50 G51 D52 C56 L57 E58 | F34-L54 HydrophobicContact CE1-CD1 3.66Å; F34-L54 HydrophobicContact CE1-CD2 3.46Å; F34-L54 VanDerWaalsContact CE1-CD2 3.46Å; F34-L54 HydrophobicContact CE1-CG 4.17Å; F34-L54 HydrophobicContact CZ-CD1 4.3Å; F34-L54 HydrophobicContact CZ-CD2 3.69Å; L38-L54 HydrophobicContact CD1-CD1 4.27Å; N50-L54 PolarHBondContact O-N 3.41Å; G51-L54 PolarHBondContact O-N 2.82Å; D52-L54 VanDerWaalsContact C-N 3.35Å; L54-C56 VanDerWaalsContact C-N 3.25Å; L54-C56 PolarHBondContact O-N 3.17Å; L54-L57 PolarHBondContact O-N 3.28Å; L54-L57 VanDerWaalsContact O-N 3.15Å; L54-E58 WeakPolarHBondContact O-CG 3.2Å; L54-E58 PolarHBondContact O-N 2.72Å |
| 55 | E | 71.3 | Confident | 65.8 | Low | 97 Ų | 97 | 59.3 Ų | 59.3 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -37.1 | 171.2 | -77.2 | -176.1 | -178.8 | 0 | 0 | 111.4 | G51 M59 | G51-E55 WeakPolarHBondContact O-CB 3.32Å; G51-E55 WeakPolarHBondContact O-CG 3.37Å; G51-E55 PolarHBondContact O-N 3.24Å; E55-M59 HydrophobicContact CB-CE 4.31Å; E55-M59 WeakPolarHBondContact O-CB 3.31Å; E55-M59 WeakPolarHBondContact O-CE 3.48Å; E55-M59 VanDerWaalsContact O-CG 3.31Å; E55-M59 WeakPolarHBondContact O-CG 3.26Å; E55-M59 PolarHBondContact O-N 3.44Å |
| 56 | C | 74.3 | Confident | 67 | Low | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 173.7 | -71 | 0 | 0 | 0 | 0 | 112.6 | D52 F53 L54 M59 I60 F113 | D52-C56 PolarHBondContact O-N 2.85Å; D52-C56 PolarHBondContact O-SG 3.45Å; F53-C56 WeakPolarHBondContact O-CB 3.14Å; F53-C56 PolarHBondContact O-N 2.9Å; L54-C56 VanDerWaalsContact C-N 3.25Å; L54-C56 PolarHBondContact O-N 3.17Å; C56-M59 PolarHBondContact O-N 2.75Å; C56-I60 VanDerWaalsContact O-CG1 3.27Å; C56-I60 WeakPolarHBondContact O-CG1 3.38Å; C56-I60 PolarHBondContact O-N 3.48Å; C56-F113 HydrophobicContact CB-CE1 4.26Å |
| 57 | L | 75.7 | Confident | 67.7 | Low | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 176.8 | -70.1 | 178 | 0 | 0 | 0 | 112.2 | F53 L54 M59 I60 D61 F166 A169 V170 F173 | F53-L57 HydrophobicContact CD1-CD1 4.02Å; F53-L57 HydrophobicContact CE1-CD1 3.39Å; F53-L57 HydrophobicContact CE1-CG 4.17Å; F53-L57 HydrophobicContact CZ-CD1 3.85Å; F53-L57 HydrophobicContact CZ-CG 4.34Å; F53-L57 PolarHBondContact O-N 3.35Å; F53-L57 VanDerWaalsContact O-N 3.14Å; L54-L57 PolarHBondContact O-N 3.28Å; L54-L57 VanDerWaalsContact O-N 3.15Å; L57-M59 VanDerWaalsContact C-N 3.34Å; L57-I60 PolarHBondContact O-N 2.79Å; L57-D61 WeakPolarHBondContact O-CB 3.22Å; L57-D61 PolarHBondContact O-N 2.99Å; L57-F166 HydrophobicContact CD1-CD2 4.48Å; L57-F166 HydrophobicContact CD1-CE2 4.06Å; L57-A169 HydrophobicContact CB-CB 4.44Å; L57-A169 HydrophobicContact CD2-CB 4.11Å; L57-V170 HydrophobicContact CD1-CG2 4.19Å; L57-V170 HydrophobicContact CD2-CG2 4.17Å; L57-F173 HydrophobicContact CD2-CB 4.13Å |
| 58 | E | 74.5 | Confident | 68.3 | Low | 107 Ų | 107 | 57.7 Ų | 57.7 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 174.9 | -73.2 | -175.4 | 171.1 | 0 | 0 | 111.7 | L54 A62 | L54-E58 WeakPolarHBondContact O-CG 3.2Å; L54-E58 PolarHBondContact O-N 2.72Å; E58-A62 VanDerWaalsContact O-CB 3.28Å; E58-A62 WeakPolarHBondContact O-CB 3.25Å; E58-A62 PolarHBondContact O-N 2.79Å |
| 59 | M | 75.6 | Confident | 68.4 | Low | 42 Ų | 42 | 57 Ų | 57 | 21% | 0.207 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -42.1 | 172.4 | -80.4 | -173.2 | -84.5 | 0 | 0 | 112.1 | E55 C56 L57 A62 I63 Y101 L102 | E55-M59 HydrophobicContact CB-CE 4.31Å; E55-M59 WeakPolarHBondContact O-CB 3.31Å; E55-M59 WeakPolarHBondContact O-CE 3.48Å; E55-M59 VanDerWaalsContact O-CG 3.31Å; E55-M59 WeakPolarHBondContact O-CG 3.26Å; E55-M59 PolarHBondContact O-N 3.44Å; C56-M59 PolarHBondContact O-N 2.75Å; L57-M59 VanDerWaalsContact C-N 3.34Å; M59-A62 PolarHBondContact O-N 3.06Å; M59-I63 WeakPolarHBondContact O-CD1 3.47Å; M59-I63 VanDerWaalsContact O-CG1 3.23Å; M59-I63 WeakPolarHBondContact O-CG1 3.36Å; M59-I63 PolarHBondContact O-N 2.74Å; M59-Y101 HydrophobicContact CE-CD1 3.85Å; M59-Y101 HydrophobicContact CE-CE1 3.7Å; M59-Y101 HydrophobicContact SD-CD1 3.92Å; M59-Y101 HydrophobicContact SD-CE1 4.25Å; M59-L102 HydrophobicContact CB-CD1 3.64Å; M59-L102 HydrophobicContact CB-CG 4.4Å; M59-L102 HydrophobicContact SD-CD1 4.49Å |
| 60 | I | 78.4 | Confident | 68.8 | Low | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.9 | -72.3 | 167 | 0 | 0 | 0 | 110.2 | C56 L57 A62 I63 I64 L102 A169 C172 F173 | C56-I60 VanDerWaalsContact O-CG1 3.27Å; C56-I60 WeakPolarHBondContact O-CG1 3.38Å; C56-I60 PolarHBondContact O-N 3.48Å; L57-I60 PolarHBondContact O-N 2.79Å; I60-A62 VanDerWaalsContact C-N 3.34Å; I60-A62 PolarHBondContact O-N 2.86Å; I60-I63 PolarHBondContact O-N 3.24Å; I60-I64 HydrophobicContact CG2-CD1 3.64Å; I60-I64 HydrophobicContact CG2-CG1 4.33Å; I60-I64 WeakPolarHBondContact O-CB 3.08Å; I60-I64 VanDerWaalsContact O-CG1 3.26Å; I60-I64 WeakPolarHBondContact O-CG1 3.47Å; I60-I64 PolarHBondContact O-N 3.4Å; I60-L102 HydrophobicContact CD1-CD2 4.09Å; I60-L102 HydrophobicContact CG1-CD1 4.11Å; I60-L102 HydrophobicContact CG1-CD2 3.88Å; I60-A169 HydrophobicContact CG2-CB 4.16Å; I60-C172 HydrophobicContact CG2-CB 3.91Å; I60-F173 HydrophobicContact CD1-CB 3.82Å; I60-F173 HydrophobicContact CD1-CD2 3.87Å; I60-F173 HydrophobicContact CD1-CG 4.36Å |
| 61 | D | 75.4 | Confident | 68.9 | Low | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 177.1 | -176.6 | 36.4 | 0 | 0 | 0 | 111.8 | L57 I63 I64 R65 A169 | L57-D61 WeakPolarHBondContact O-CB 3.22Å; L57-D61 PolarHBondContact O-N 2.99Å; D61-I63 VanDerWaalsContact C-N 3.33Å; D61-I63 PolarHBondContact O-N 3.39Å; D61-I64 PolarHBondContact O-N 2.97Å; D61-R65 VanDerWaalsContact CG-NE 3.35Å; D61-R65 WeakPolarHBondContact O-CB 3.43Å; D61-R65 VanDerWaalsContact O-CG 3.29Å; D61-R65 WeakPolarHBondContact O-CG 3.25Å; D61-R65 PolarHBondContact O-N 3.43Å; D61-R65 IonicContact OD1-CZ 3.79Å; D61-R65 IonicContact OD1-NE 3.03Å; D61-R65 PolarHBondContact OD1-NE 3.41Å; D61-R65 IonicContact OD1-NH2 3.66Å; D61-R65 IonicContact OD2-CZ 3.17Å; D61-R65 IonicContact OD2-NE 3.11Å; D61-R65 PolarHBondContact OD2-NE 2.76Å; D61-R65 VanDerWaalsContact OD2-NE 3.11Å; D61-R65 IonicContact OD2-NH2 2.66Å; D61-R65 PolarHBondContact OD2-NH2 3.46Å; D61-A169 HydrophobicContact CB-CB 4.35Å |
| 62 | A | 75.6 | Confident | 68.9 | Low | 59 Ų | 59 | 67.2 Ų | 67.2 | 49% | 0.488 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E58 M59 I60 S66 | E58-A62 VanDerWaalsContact O-CB 3.28Å; E58-A62 WeakPolarHBondContact O-CB 3.25Å; E58-A62 PolarHBondContact O-N 2.79Å; M59-A62 PolarHBondContact O-N 3.06Å; I60-A62 VanDerWaalsContact C-N 3.34Å; I60-A62 PolarHBondContact O-N 2.86Å; A62-S66 PolarHBondContact O-N 3.25Å |
| 63 | I | 75.5 | Confident | 68.6 | Low | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.8 | -44.2 | 175.5 | -65.4 | 163.7 | 0 | 0 | 0 | 110.3 | M59 I60 D61 R65 S66 T67 V91 L102 | M59-I63 WeakPolarHBondContact O-CD1 3.47Å; M59-I63 VanDerWaalsContact O-CG1 3.23Å; M59-I63 WeakPolarHBondContact O-CG1 3.36Å; M59-I63 PolarHBondContact O-N 2.74Å; I60-I63 PolarHBondContact O-N 3.24Å; D61-I63 VanDerWaalsContact C-N 3.33Å; D61-I63 PolarHBondContact O-N 3.39Å; I63-R65 PolarHBondContact O-N 2.77Å; I63-S66 PolarHBondContact O-N 2.87Å; I63-S66 VanDerWaalsContact O-N 3.14Å; I63-S66 PolarHBondContact O-OG 2.98Å; I63-T67 PolarHBondContact O-N 3.11Å; I63-T67 PolarHBondContact O-OG1 3.42Å; I63-V91 HydrophobicContact CB-CG2 4.32Å; I63-V91 HydrophobicContact CD1-CG1 4.29Å; I63-V91 HydrophobicContact CG2-CB 4.45Å; I63-V91 HydrophobicContact CG2-CG2 3.81Å; I63-L102 HydrophobicContact CD1-CD1 3.67Å |
| 64 | I | 76.4 | Confident | 68.3 | Low | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 178.2 | -71.6 | 171.1 | 0 | 0 | 0 | 110.5 | I60 D61 S66 T67 E68 D87 V91 R168 C172 | I60-I64 HydrophobicContact CG2-CD1 3.64Å; I60-I64 HydrophobicContact CG2-CG1 4.33Å; I60-I64 WeakPolarHBondContact O-CB 3.08Å; I60-I64 VanDerWaalsContact O-CG1 3.26Å; I60-I64 WeakPolarHBondContact O-CG1 3.47Å; I60-I64 PolarHBondContact O-N 3.4Å; D61-I64 PolarHBondContact O-N 2.97Å; I64-S66 PolarHBondContact O-N 3.46Å; I64-T67 WeakPolarHBondContact CA-OG1 3.46Å; I64-T67 PolarHBondContact O-N 2.81Å; I64-T67 PolarHBondContact O-OG1 3.27Å; I64-E68 PolarHBondContact O-N 2.77Å; I64-D87 HydrophobicContact CD1-CB 4.23Å; I64-D87 HydrophobicContact CG1-CB 4.26Å; I64-V91 HydrophobicContact CG1-CG2 4.43Å; I64-R168 HydrophobicContact CD1-CG 4.25Å; I64-C172 HydrophobicContact CD1-CB 3.83Å |
| 65 | R | 74.3 | Confident | 68.2 | Low | 144 Ų | 144 | 74.5 Ų | 74.5 | 54% | 0.543 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.2 | -25.3 | 177.4 | -69.8 | -179.7 | -161.8 | -160.9 | 5.3 | 113.9 | D61 I63 T67 | D61-R65 VanDerWaalsContact CG-NE 3.35Å; D61-R65 WeakPolarHBondContact O-CB 3.43Å; D61-R65 VanDerWaalsContact O-CG 3.29Å; D61-R65 WeakPolarHBondContact O-CG 3.25Å; D61-R65 PolarHBondContact O-N 3.43Å; D61-R65 IonicContact OD1-CZ 3.79Å; D61-R65 IonicContact OD1-NE 3.03Å; D61-R65 PolarHBondContact OD1-NE 3.41Å; D61-R65 IonicContact OD1-NH2 3.66Å; D61-R65 IonicContact OD2-CZ 3.17Å; D61-R65 IonicContact OD2-NE 3.11Å; D61-R65 PolarHBondContact OD2-NE 2.76Å; D61-R65 VanDerWaalsContact OD2-NE 3.11Å; D61-R65 IonicContact OD2-NH2 2.66Å; D61-R65 PolarHBondContact OD2-NH2 3.46Å; I63-R65 PolarHBondContact O-N 2.77Å; R65-T67 VanDerWaalsContact C-N 3.33Å |
| 66 | S | 69.8 | Low | 67.7 | Low | 80 Ų | 80 | 70 Ų | 70 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -79.5 | -19.8 | 176.1 | 78.7 | 0 | 0 | 0 | 0 | 112.6 | A62 I63 I64 | A62-S66 PolarHBondContact O-N 3.25Å; I63-S66 PolarHBondContact O-N 2.87Å; I63-S66 VanDerWaalsContact O-N 3.14Å; I63-S66 PolarHBondContact O-OG 2.98Å; I64-S66 PolarHBondContact O-N 3.46Å |
| 67 | T | 63.6 | Low | 67.1 | Low | 65 Ų | 65 | 70.5 Ų | 70.5 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -98.2 | -2.8 | -178.4 | 54 | 0 | 0 | 0 | 0 | 115 | I63 I64 R65 Q69 | I63-T67 PolarHBondContact O-N 3.11Å; I63-T67 PolarHBondContact O-OG1 3.42Å; I64-T67 WeakPolarHBondContact CA-OG1 3.46Å; I64-T67 PolarHBondContact O-N 2.81Å; I64-T67 PolarHBondContact O-OG1 3.27Å; R65-T67 VanDerWaalsContact C-N 3.33Å; T67-Q69 PolarHBondContact O-N 3.44Å; T67-Q69 VanDerWaalsContact O-N 3.11Å |
| 68 | E | 60.4 | Low | 66.5 | Low | 116 Ų | 116 | 74 Ų | 74 | 54% | 0.542 | 39% | 0.385 | S | S | . | . | trans | -60.4 | 112.8 | -171.3 | -78.6 | -175.5 | 159.2 | 0 | 0 | 113.7 | I64 R168 | I64-E68 PolarHBondContact O-N 2.77Å; E68-R168 IonicContact OE1-NH1 3.43Å; E68-R168 PolarHBondContact OE1-NH1 3.44Å | ||
| 69 | Q | 51.4 | Low | 66.5 | Low | 173 Ų | 173 | 74.8 Ų | 74.8 | 81% | 0.808 | 39% | 0.386 | S | S | * | . | trans | -96.1 | 148.5 | 146.7 | -72.1 | -175.5 | -26.7 | 0 | 0 | 107.3 | T67 D71 | T67-Q69 PolarHBondContact O-N 3.44Å; T67-Q69 VanDerWaalsContact O-N 3.11Å; Q69-D71 PolarHBondContact O-N 3.22Å | ||
| 70 | E | 56.5 | Low | 66.3 | Low | 205 Ų | 205 | 73.1 Ų | 73.1 | 96% | 0.958 | 38% | 0.379 | S | S | * | . | trans | -51.7 | 111.1 | -178.1 | -72.9 | -178.2 | 154.8 | 0 | 0 | 111.8 | D72 | E70-D72 PolarHBondContact O-N 2.81Š| ||
| 71 | D | 56.6 | Low | 66.3 | Low | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | trans | -70.6 | 124.6 | -177.8 | -74.9 | -39 | 0 | 0 | 0 | 111.4 | Q69 I73 V76 L83 R168 | Q69-D71 PolarHBondContact O-N 3.22Å; D71-I73 PolarHBondContact O-N 3.23Å; D71-V76 HydrophobicContact CB-CG2 3.71Å; D71-L83 HydrophobicContact CB-CD1 4.37Å; D71-R168 IonicContact OD2-CZ 2.84Å; D71-R168 IonicContact OD2-NH1 3.54Å; D71-R168 IonicContact OD2-NH2 2.69Å; D71-R168 PolarHBondContact OD2-NH2 2.8Å | ||
| 72 | D | 61.2 | Low | 66.5 | Low | 110 Ų | 110 | 79.5 Ų | 79.5 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | trans | -55.9 | 119.1 | -179 | -163.1 | -3.4 | 0 | 0 | 0 | 111.3 | E70 D74 L75 V76 | E70-D72 PolarHBondContact O-N 2.81Å; D72-D74 PolarHBondContact O-N 3.26Å; D72-L75 HydrophobicContact CB-CB 4.05Å; D72-L75 WeakPolarHBondContact O-CA 3.33Å; D72-L75 WeakPolarHBondContact O-CB 3.18Å; D72-L75 PolarHBondContact O-N 2.95Å; D72-V76 WeakPolarHBondContact O-CG2 3.33Å; D72-V76 PolarHBondContact O-N 3.29Å | ||
| 73 | I | 58 | Low | 66.6 | Low | 102 Ų | 102 | 77 Ų | 77 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.5 | -38.4 | -168.2 | -62.7 | 168.7 | 0 | 0 | 0 | 110.9 | D71 V76 C77 K217 | D71-I73 PolarHBondContact O-N 3.23Å; I73-V76 PolarHBondContact O-N 2.87Å; I73-C77 WeakPolarHBondContact O-CB 3.48Å; I73-C77 PolarHBondContact O-N 2.86Å; I73-C77 PolarHBondContact O-SG 2.88Å; I73-K217 HydrophobicContact CG1-CD 4.36Å |
| 74 | D | 61.5 | Low | 66.6 | Low | 115 Ų | 115 | 76.7 Ų | 76.7 | 62% | 0.615 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.9 | -36.8 | 177.6 | -75.4 | -18.2 | 0 | 0 | 0 | 111.6 | D72 T78 | D72-D74 PolarHBondContact O-N 3.26Å; D74-T78 VanDerWaalsContact O-CB 3.22Å; D74-T78 WeakPolarHBondContact O-CB 3.22Å; D74-T78 VanDerWaalsContact O-CG2 3.26Å; D74-T78 WeakPolarHBondContact O-CG2 3.39Å; D74-T78 PolarHBondContact O-N 2.75Å; D74-T78 PolarHBondContact O-OG1 3.15Å |
| 75 | L | 66.2 | Low | 66.9 | Low | 49 Ų | 49 | 78.2 Ų | 78.2 | 26% | 0.257 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 179.1 | -154.9 | 78.3 | 0 | 0 | 0 | 111.6 | D72 K79 L82 | D72-L75 HydrophobicContact CB-CB 4.05Å; D72-L75 WeakPolarHBondContact O-CA 3.33Å; D72-L75 WeakPolarHBondContact O-CB 3.18Å; D72-L75 PolarHBondContact O-N 2.95Å; L75-K79 CarbonylContact O-C 3.59Å; L75-K79 WeakPolarHBondContact O-CA 3.41Å; L75-K79 PolarHBondContact O-N 2.95Å; L75-L82 HydrophobicContact CD1-CD2 3.91Å; L75-L82 HydrophobicContact CD2-CD2 4.39Å; L75-L82 HydrophobicContact CG-CD2 4.39Å |
| 76 | V | 61.3 | Low | 67.2 | Low | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.012 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | D71 D72 I73 L83 Y209 S213 | D71-V76 HydrophobicContact CB-CG2 3.71Å; D72-V76 WeakPolarHBondContact O-CG2 3.33Å; D72-V76 PolarHBondContact O-N 3.29Å; I73-V76 PolarHBondContact O-N 2.87Å; V76-L83 HydrophobicContact CG2-CD2 4.13Å; V76-Y209 HydrophobicContact CG1-CE1 3.7Å; V76-S213 WeakPolarHBondContact CG1-OG 3.34Å |
| 77 | C | 60.7 | Low | 67.6 | Low | 14 Ų | 14 | 72 Ų | 72 | 10% | 0.095 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -82.7 | -31.3 | -176.8 | -62 | 0 | 0 | 0 | 0 | 113.3 | I73 W318 | I73-C77 WeakPolarHBondContact O-CB 3.48Å; I73-C77 PolarHBondContact O-N 2.86Å; I73-C77 PolarHBondContact O-SG 2.88Å; C77-W318 WeakPolarHBondContact O-CH2 3.19Å |
| 78 | T | 64.3 | Low | 68.2 | Low | 84 Ų | 84 | 68.9 Ų | 68.9 | 52% | 0.515 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -100.7 | -29.7 | -175.6 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | D74 | D74-T78 VanDerWaalsContact O-CB 3.22Å; D74-T78 WeakPolarHBondContact O-CB 3.22Å; D74-T78 VanDerWaalsContact O-CG2 3.26Å; D74-T78 WeakPolarHBondContact O-CG2 3.39Å; D74-T78 PolarHBondContact O-N 2.75Å; D74-T78 PolarHBondContact O-OG1 3.15Å |
| 79 | K | 73.1 | Confident | 69 | Low | 122 Ų | 122 | 66.5 Ų | 66.5 | 53% | 0.53 | 34% | 0.342 | S | S | . | . | trans | -138.6 | 57.3 | -172.5 | -64.8 | 179.8 | -174.4 | 170.7 | 0 | 112.9 | L75 W81 L82 L83 | L75-K79 CarbonylContact O-C 3.59Å; L75-K79 WeakPolarHBondContact O-CA 3.41Å; L75-K79 PolarHBondContact O-N 2.95Å; K79-W81 PolarHBondContact O-N 2.82Å; K79-W81 VanDerWaalsContact O-N 3.12Å; K79-L82 HydrophobicContact CB-CB 4.02Å; K79-L82 HydrophobicContact CD-CD2 4.45Å; K79-L82 WeakPolarHBondContact O-CB 3.41Å; K79-L82 PolarHBondContact O-N 2.88Å; K79-L83 PolarHBondContact O-N 2.96Å | ||
| 80 | P | 71.1 | Confident | 70.2 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -26.6 | -177.6 | 26.2 | -36.9 | 0 | 0 | 0 | 114.1 | A84 C206 Y209 | P80-A84 PolarHBondContact O-N 3.29Å; P80-C206 HydrophobicContact CB-CB 4.47Å; P80-C206 HydrophobicContact CG-CB 3.71Å; P80-Y209 HydrophobicContact CB-CD1 3.55Å; P80-Y209 HydrophobicContact CB-CE1 4.05Å |
| 81 | W | 79.8 | Confident | 71 | Confident | 81 Ų | 81 | 50 Ų | 50 | 31% | 0.307 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 173.8 | -176.6 | -108.9 | 0 | 0 | 0 | 113.1 | K79 A84 C85 L171 A175 K178 M202 | K79-W81 PolarHBondContact O-N 2.82Å; K79-W81 VanDerWaalsContact O-N 3.12Å; W81-A84 PolarHBondContact O-N 3.47Å; W81-C85 PolarHBondContact O-N 3.44Å; W81-C85 VanDerWaalsContact O-N 3.11Å; W81-C85 PolarHBondContact O-SG 2.93Å; W81-L171 HydrophobicContact CE3-CD2 4.19Å; W81-L171 HydrophobicContact CZ3-CD2 4.2Å; W81-A175 HydrophobicContact CH2-CB 4.02Å; W81-K178 HydrophobicContact CZ2-CD 4.47Å; W81-M202 HydrophobicContact CD2-SD 4.35Å; W81-M202 HydrophobicContact CE3-CE 4.22Å; W81-M202 HydrophobicContact CE3-CG 4.43Å; W81-M202 HydrophobicContact CE3-SD 3.86Å; W81-M202 HydrophobicContact CH2-CE 2.92Å; W81-M202 HydrophobicContact CH2-SD 3.56Å; W81-M202 VanDerWaalsContact CH2-SD 3.56Å; W81-M202 HydrophobicContact CZ2-CE 3.66Å; W81-M202 HydrophobicContact CZ2-SD 3.96Å; W81-M202 HydrophobicContact CZ3-CE 3.23Å; W81-M202 HydrophobicContact CZ3-CG 4.05Å; W81-M202 HydrophobicContact CZ3-SD 3.45Å; W81-M202 WeakPolarHBondContact CZ3-SD 3.24Å |
| 82 | L | 80.2 | Confident | 71.7 | Confident | 80 Ų | 80 | 49.8 Ų | 49.8 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 178.8 | -168.8 | 79.1 | 0 | 0 | 0 | 110.5 | L75 K79 A84 C85 N86 | L75-L82 HydrophobicContact CD1-CD2 3.91Å; L75-L82 HydrophobicContact CD2-CD2 4.39Å; L75-L82 HydrophobicContact CG-CD2 4.39Å; K79-L82 HydrophobicContact CB-CB 4.02Å; K79-L82 HydrophobicContact CD-CD2 4.45Å; K79-L82 WeakPolarHBondContact O-CB 3.41Å; K79-L82 PolarHBondContact O-N 2.88Å; L82-A84 PolarHBondContact O-N 3.31Å; L82-C85 WeakPolarHBondContact O-CB 3.25Å; L82-C85 PolarHBondContact O-N 3.24Å; L82-N86 PolarHBondContact O-N 2.89Å |
| 83 | L | 77.3 | Confident | 72.1 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.2 | -49.1 | 174.1 | -170.6 | 76.1 | 0 | 0 | 0 | 111.1 | D71 V76 K79 C85 N86 D87 Y209 | D71-L83 HydrophobicContact CB-CD1 4.37Å; V76-L83 HydrophobicContact CG2-CD2 4.13Å; K79-L83 PolarHBondContact O-N 2.96Å; L83-C85 VanDerWaalsContact C-N 3.27Å; L83-C85 PolarHBondContact O-N 2.81Å; L83-N86 WeakPolarHBondContact O-CB 2.86Å; L83-N86 PolarHBondContact O-N 3.47Å; L83-N86 VanDerWaalsContact O-N 3.08Å; L83-D87 PolarHBondContact O-N 2.91Å; L83-Y209 HydrophobicContact CD2-CE1 4.06Å; L83-Y209 WeakPolarHBondContact CD2-OH 3.03Å |
| 84 | A | 75.9 | Confident | 72.5 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -33.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P80 W81 L82 A88 L171 A175 | P80-A84 PolarHBondContact O-N 3.29Å; W81-A84 PolarHBondContact O-N 3.47Å; L82-A84 PolarHBondContact O-N 3.31Å; A84-A88 VanDerWaalsContact O-CB 3.31Å; A84-A88 WeakPolarHBondContact O-CB 3.4Å; A84-A88 PolarHBondContact O-N 2.82Å; A84-L171 HydrophobicContact CB-CB 3.6Å; A84-A175 WeakPolarHBondContact O-CB 3.45Å |
| 85 | C | 81.4 | Confident | 72.2 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 174.6 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | W81 L82 L83 S89 | W81-C85 PolarHBondContact O-N 3.44Å; W81-C85 VanDerWaalsContact O-N 3.11Å; W81-C85 PolarHBondContact O-SG 2.93Å; L82-C85 WeakPolarHBondContact O-CB 3.25Å; L82-C85 PolarHBondContact O-N 3.24Å; L83-C85 VanDerWaalsContact C-N 3.27Å; L83-C85 PolarHBondContact O-N 2.81Å; C85-S89 PolarHBondContact O-N 3.2Å; C85-S89 VanDerWaalsContact O-N 3.11Å |
| 86 | N | 80.6 | Confident | 71.9 | Confident | 80 Ų | 80 | 51.3 Ų | 51.3 | 43% | 0.428 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67 | -47.6 | 175.6 | -66.7 | -14.8 | 0 | 0 | 0 | 110.6 | L82 L83 A88 S89 A90 | L82-N86 PolarHBondContact O-N 2.89Å; L83-N86 WeakPolarHBondContact O-CB 2.86Å; L83-N86 PolarHBondContact O-N 3.47Å; L83-N86 VanDerWaalsContact O-N 3.08Å; N86-A88 VanDerWaalsContact C-N 3.31Å; N86-A88 PolarHBondContact O-N 3.49Å; N86-S89 WeakPolarHBondContact O-CB 3.48Å; N86-S89 PolarHBondContact O-N 3.41Å; N86-S89 PolarHBondContact O-OG 3.5Å; N86-A90 PolarHBondContact O-N 3.44Å |
| 87 | D | 78.5 | Confident | 71.9 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.3 | -45.3 | 175.3 | -70.8 | -13.3 | 0 | 0 | 0 | 110.8 | I64 L83 S89 A90 V91 R168 C172 | I64-D87 HydrophobicContact CD1-CB 4.23Å; I64-D87 HydrophobicContact CG1-CB 4.26Å; L83-D87 PolarHBondContact O-N 2.91Å; D87-S89 VanDerWaalsContact C-N 3.28Å; D87-S89 PolarHBondContact O-N 3.03Å; D87-A90 WeakPolarHBondContact O-CB 3.41Å; D87-A90 PolarHBondContact O-N 2.97Å; D87-A90 VanDerWaalsContact O-N 3.12Å; D87-V91 WeakPolarHBondContact O-CG2 3.31Å; D87-V91 PolarHBondContact O-N 3.22Å; D87-R168 IonicContact OD1-NH2 3.93Å; D87-R168 PolarHBondContact OD1-NH2 2.98Å; D87-R168 IonicContact OD2-CZ 2.83Å; D87-R168 IonicContact OD2-NE 2.94Å; D87-R168 PolarHBondContact OD2-NE 3.32Å; D87-R168 IonicContact OD2-NH2 2.8Å; D87-R168 PolarHBondContact OD2-NH2 3.26Å; D87-C172 HydrophobicContact CB-CB 4.25Å |
| 88 | A | 76.7 | Confident | 72 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -33.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | A84 N86 A92 A175 F176 | A84-A88 VanDerWaalsContact O-CB 3.31Å; A84-A88 WeakPolarHBondContact O-CB 3.4Å; A84-A88 PolarHBondContact O-N 2.82Å; N86-A88 VanDerWaalsContact C-N 3.31Å; N86-A88 PolarHBondContact O-N 3.49Å; A88-A92 WeakPolarHBondContact O-CB 3.45Å; A88-A92 PolarHBondContact O-N 3.5Å; A88-A92 VanDerWaalsContact O-N 3.09Å; A88-A175 HydrophobicContact CB-CB 3.6Å; A88-F176 HydrophobicContact CB-CB 4.15Å |
| 89 | S | 77.3 | Confident | 72.1 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 46% | 0.462 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.8 | -36.6 | 174.4 | 77.2 | 0 | 0 | 0 | 0 | 112.2 | C85 N86 D87 A92 S93 | C85-S89 PolarHBondContact O-N 3.2Å; C85-S89 VanDerWaalsContact O-N 3.11Å; N86-S89 WeakPolarHBondContact O-CB 3.48Å; N86-S89 PolarHBondContact O-N 3.41Å; N86-S89 PolarHBondContact O-OG 3.5Å; D87-S89 VanDerWaalsContact C-N 3.28Å; D87-S89 PolarHBondContact O-N 3.03Å; S89-A92 PolarHBondContact O-N 3.06Å; S89-S93 PolarHBondContact O-N 2.9Å; S89-S93 VanDerWaalsContact O-N 3.15Å |
| 90 | A | 75.8 | Confident | 71.8 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 21% | 0.207 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | N86 D87 A92 S93 E94 | N86-A90 PolarHBondContact O-N 3.44Å; D87-A90 WeakPolarHBondContact O-CB 3.41Å; D87-A90 PolarHBondContact O-N 2.97Å; D87-A90 VanDerWaalsContact O-N 3.12Å; A90-A92 VanDerWaalsContact C-N 3.27Å; A90-A92 PolarHBondContact O-N 2.91Å; A90-S93 PolarHBondContact O-N 3.28Å; A90-S93 PolarHBondContact O-OG 3.49Å; A90-E94 PolarHBondContact O-N 3.04Å |
| 91 | V | 73.8 | Confident | 71.9 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.03 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.5 | -37.6 | 174.7 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | I63 I64 D87 S93 F176 | I63-V91 HydrophobicContact CB-CG2 4.32Å; I63-V91 HydrophobicContact CD1-CG1 4.29Å; I63-V91 HydrophobicContact CG2-CB 4.45Å; I63-V91 HydrophobicContact CG2-CG2 3.81Å; I64-V91 HydrophobicContact CG1-CG2 4.43Å; D87-V91 WeakPolarHBondContact O-CG2 3.31Å; D87-V91 PolarHBondContact O-N 3.22Å; V91-S93 VanDerWaalsContact C-N 3.31Å; V91-S93 PolarHBondContact O-N 2.85Å; V91-F176 HydrophobicContact CG1-CD2 4.17Å; V91-F176 HydrophobicContact CG1-CE2 4.18Å |
| 92 | A | 70.8 | Confident | 71.5 | Confident | 48 Ų | 48 | 61.2 Ų | 61.2 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.7 | -21.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A88 S89 A90 F176 | A88-A92 WeakPolarHBondContact O-CB 3.45Å; A88-A92 PolarHBondContact O-N 3.5Å; A88-A92 VanDerWaalsContact O-N 3.09Å; S89-A92 PolarHBondContact O-N 3.06Å; A90-A92 VanDerWaalsContact C-N 3.27Å; A90-A92 PolarHBondContact O-N 2.91Å; A92-F176 HydrophobicContact CB-CD2 4.39Å; A92-F176 HydrophobicContact CB-CE2 4.04Å |
| 93 | S | 70.2 | Confident | 71.1 | Confident | 75 Ų | 75 | 62.4 Ų | 62.4 | 52% | 0.524 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -89.6 | -11.9 | -177.9 | 74.6 | 0 | 0 | 0 | 0 | 114.3 | S89 A90 V91 Y95 | S89-S93 PolarHBondContact O-N 2.9Å; S89-S93 VanDerWaalsContact O-N 3.15Å; A90-S93 PolarHBondContact O-N 3.28Å; A90-S93 PolarHBondContact O-OG 3.49Å; V91-S93 VanDerWaalsContact C-N 3.31Å; V91-S93 PolarHBondContact O-N 2.85Å; S93-Y95 WeakPolarHBondContact O-CD2 3.39Å; S93-Y95 PolarHBondContact O-N 2.88Å; S93-Y95 VanDerWaalsContact O-N 3.1Å |
| 94 | E | 65.4 | Low | 70.9 | Confident | 67 Ų | 67 | 69.1 Ų | 69.1 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | trans | -69.4 | 104.5 | 178.9 | -123.4 | -157.4 | -176 | 0 | 0 | 111 | A90 G96 T98 | A90-E94 PolarHBondContact O-N 3.04Å; E94-G96 PolarHBondContact O-N 3.27Å; E94-T98 PolarHBondContact OE2-OG1 3.45Å | ||
| 95 | Y | 55.5 | Low | 70.7 | Confident | 237 Ų | 237 | 69.9 Ų | 69.9 | 93% | 0.929 | 36% | 0.358 | S | S | * | . | trans | -71.8 | 16.6 | -179.6 | -78.7 | -85.2 | 0 | 0 | 0 | 114.5 | S93 | S93-Y95 WeakPolarHBondContact O-CD2 3.39Å; S93-Y95 PolarHBondContact O-N 2.88Å; S93-Y95 VanDerWaalsContact O-N 3.1Å | ||
| 96 | G | 60.4 | Low | 70.3 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -84.9 | 168.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E94 T98 G99 T100 | E94-G96 PolarHBondContact O-N 3.27Å; G96-T98 PolarHBondContact O-N 2.86Å; G96-G99 PolarHBondContact O-N 2.98Å; G96-T100 PolarHBondContact O-N 3.47Å; G96-T100 PolarHBondContact O-OG1 3.38Å; G96-T100 VanDerWaalsContact O-OG1 3.04Å |
| 97 | R | 60.6 | Low | 70 | Confident | 234 Ų | 234 | 65.3 Ų | 65.3 | 88% | 0.883 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56.8 | -28.1 | 168.1 | -76.8 | -175.5 | 177.4 | 178.1 | -0.5 | 112.2 | T100 Y101 | R97-T100 WeakPolarHBondContact CA-OG1 3.31Å; R97-T100 PolarHBondContact O-OG1 3.22Å; R97-T100 VanDerWaalsContact O-OG1 3.11Å; R97-Y101 WeakPolarHBondContact O-CB 3.32Å; R97-Y101 PolarHBondContact O-N 3.4Å; R97-Y101 VanDerWaalsContact O-N 3.16Å |
| 98 | T | 63.5 | Low | 69.8 | Low | 64 Ų | 64 | 69.2 Ų | 69.2 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.9 | -58.4 | 177.5 | 42.4 | 0 | 0 | 0 | 0 | 112 | E94 G96 T100 Y101 L102 | E94-T98 PolarHBondContact OE2-OG1 3.45Å; G96-T98 PolarHBondContact O-N 2.86Å; T98-T100 VanDerWaalsContact C-N 3.31Å; T98-T100 PolarHBondContact O-N 2.88Å; T98-Y101 PolarHBondContact O-N 3.01Å; T98-Y101 VanDerWaalsContact O-N 3.17Å; T98-L102 WeakPolarHBondContact O-CB 3.27Å; T98-L102 PolarHBondContact O-N 3.05Å |
| 99 | G | 65.8 | Low | 69.5 | Low | 11 Ų | 11 | 70.8 Ų | 70.8 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.4 | -35.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G96 R103 | G96-G99 PolarHBondContact O-N 2.98Å; G99-R103 WeakPolarHBondContact O-CB 3.46Å; G99-R103 PolarHBondContact O-N 3.5Å |
| 100 | T | 68.3 | Low | 69.2 | Low | 88 Ų | 88 | 68.1 Ų | 68.1 | 54% | 0.54 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69 | -40.1 | 174.4 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | G96 R97 T98 Q104 | G96-T100 PolarHBondContact O-N 3.47Å; G96-T100 PolarHBondContact O-OG1 3.38Å; G96-T100 VanDerWaalsContact O-OG1 3.04Å; R97-T100 WeakPolarHBondContact CA-OG1 3.31Å; R97-T100 PolarHBondContact O-OG1 3.22Å; R97-T100 VanDerWaalsContact O-OG1 3.11Å; T98-T100 VanDerWaalsContact C-N 3.31Å; T98-T100 PolarHBondContact O-N 2.88Å; T100-Q104 PolarHBondContact O-N 3.45Å |
| 101 | Y | 71.9 | Confident | 68.8 | Low | 121 Ų | 121 | 72.7 Ų | 72.7 | 48% | 0.475 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 174.5 | -177.9 | -99.6 | 0 | 0 | 0 | 111.8 | M59 R97 T98 R103 Q104 A105 | M59-Y101 HydrophobicContact CE-CD1 3.85Å; M59-Y101 HydrophobicContact CE-CE1 3.7Å; M59-Y101 HydrophobicContact SD-CD1 3.92Å; M59-Y101 HydrophobicContact SD-CE1 4.25Å; R97-Y101 WeakPolarHBondContact O-CB 3.32Å; R97-Y101 PolarHBondContact O-N 3.4Å; R97-Y101 VanDerWaalsContact O-N 3.16Å; T98-Y101 PolarHBondContact O-N 3.01Å; T98-Y101 VanDerWaalsContact O-N 3.17Å; Y101-R103 VanDerWaalsContact C-N 3.32Å; Y101-R103 PolarHBondContact O-N 2.98Å; Y101-Q104 PolarHBondContact O-N 2.88Å; Y101-Q104 VanDerWaalsContact O-N 3.12Å; Y101-A105 WeakPolarHBondContact O-CB 3.39Å; Y101-A105 PolarHBondContact O-N 3.17Å |
| 102 | L | 71.8 | Confident | 68.6 | Low | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59 | -43.3 | 176.9 | -127.8 | 154.4 | 0 | 0 | 0 | 111.2 | M59 I60 I63 T98 A105 I106 | M59-L102 HydrophobicContact CB-CD1 3.64Å; M59-L102 HydrophobicContact CB-CG 4.4Å; M59-L102 HydrophobicContact SD-CD1 4.49Å; I60-L102 HydrophobicContact CD1-CD2 4.09Å; I60-L102 HydrophobicContact CG1-CD1 4.11Å; I60-L102 HydrophobicContact CG1-CD2 3.88Å; I63-L102 HydrophobicContact CD1-CD1 3.67Å; T98-L102 WeakPolarHBondContact O-CB 3.27Å; T98-L102 PolarHBondContact O-N 3.05Å; L102-A105 PolarHBondContact O-N 3.23Å; L102-I106 HydrophobicContact CD2-CD1 3.49Å; L102-I106 VanDerWaalsContact CD2-CD1 3.49Å; L102-I106 HydrophobicContact CD2-CG1 4.16Å; L102-I106 WeakPolarHBondContact O-CB 3.48Å; L102-I106 VanDerWaalsContact O-CG1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.37Å; L102-I106 PolarHBondContact O-N 3.36Å |
| 103 | R | 71.7 | Confident | 68.6 | Low | 105 Ų | 105 | 72 Ų | 72 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 174 | -152.1 | 178 | -156.6 | 174.4 | 6.4 | 111.6 | G99 Y101 F107 F176 H180 | G99-R103 WeakPolarHBondContact O-CB 3.46Å; G99-R103 PolarHBondContact O-N 3.5Å; Y101-R103 VanDerWaalsContact C-N 3.32Å; Y101-R103 PolarHBondContact O-N 2.98Å; R103-F107 HydrophobicContact CG-CD2 3.93Å; R103-F107 HydrophobicContact CG-CE2 3.93Å; R103-F107 WeakPolarHBondContact O-CD2 3.36Å; R103-F107 PolarHBondContact O-N 3.07Å; R103-F176 HydrophobicContact CG-CZ 4.41Å; R103-H180 PolarHBondContact NH2-CE1 3.47Å; R103-H180 PolarHBondContact NH2-ND1 3.13Å |
| 104 | Q | 73 | Confident | 68.6 | Low | 148 Ų | 148 | 70.6 Ų | 70.6 | 69% | 0.692 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.5 | -42.2 | 177.8 | -116 | 178.2 | -17.8 | 0 | 0 | 112.6 | T100 Y101 S108 | T100-Q104 PolarHBondContact O-N 3.45Å; Y101-Q104 PolarHBondContact O-N 2.88Å; Y101-Q104 VanDerWaalsContact O-N 3.12Å; Q104-S108 WeakPolarHBondContact O-CB 3.41Å; Q104-S108 PolarHBondContact O-N 3.45Å; Q104-S108 VanDerWaalsContact O-N 3.14Å; Q104-S108 PolarHBondContact O-OG 2.96Å |
| 105 | A | 72.5 | Confident | 68.6 | Low | 19 Ų | 19 | 69.2 Ų | 69.2 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.9 | -53.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y101 L102 F107 S108 S109 F113 | Y101-A105 WeakPolarHBondContact O-CB 3.39Å; Y101-A105 PolarHBondContact O-N 3.17Å; L102-A105 PolarHBondContact O-N 3.23Å; A105-F107 PolarHBondContact O-N 2.66Å; A105-S108 PolarHBondContact O-N 3.15Å; A105-S108 PolarHBondContact O-OG 2.85Å; A105-S109 PolarHBondContact O-OG 3.33Å; A105-F113 WeakPolarHBondContact O-CE2 3.05Å |
| 106 | I | 72.1 | Confident | 69.1 | Low | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.3 | -47.6 | -177.5 | -66.2 | 177.5 | 0 | 0 | 0 | 112.2 | L102 F113 F173 F176 | L102-I106 HydrophobicContact CD2-CD1 3.49Å; L102-I106 VanDerWaalsContact CD2-CD1 3.49Å; L102-I106 HydrophobicContact CD2-CG1 4.16Å; L102-I106 WeakPolarHBondContact O-CB 3.48Å; L102-I106 VanDerWaalsContact O-CG1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.37Å; L102-I106 PolarHBondContact O-N 3.36Å; I106-F113 HydrophobicContact CG1-CZ 4.43Å; I106-F113 WeakPolarHBondContact O-CD2 3.41Å; I106-F173 HydrophobicContact CD1-CD2 3.96Å; I106-F173 HydrophobicContact CD1-CE2 3.67Å; I106-F173 HydrophobicContact CG1-CE2 3.81Å; I106-F173 HydrophobicContact CG2-CE2 4.27Å; I106-F173 HydrophobicContact CG2-CZ 4.3Å; I106-F176 HydrophobicContact CD1-CD1 3.81Å; I106-F176 HydrophobicContact CD1-CE1 3.82Å |
| 107 | F | 75.5 | Confident | 69.5 | Low | 16 Ų | 16 | 56.8 Ų | 56.8 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -79.2 | -18.4 | -175.3 | -72.2 | -67.7 | 0 | 0 | 0 | 114 | R103 A105 S109 E110 H180 I183 | R103-F107 HydrophobicContact CG-CD2 3.93Å; R103-F107 HydrophobicContact CG-CE2 3.93Å; R103-F107 WeakPolarHBondContact O-CD2 3.36Å; R103-F107 PolarHBondContact O-N 3.07Å; A105-F107 PolarHBondContact O-N 2.66Å; F107-S109 VanDerWaalsContact C-N 3.31Å; F107-S109 PolarHBondContact O-N 3.44Å; F107-E110 HydrophobicContact CD1-CG 4.44Å; F107-E110 WeakPolarHBondContact CD1-OE1 3.43Å; F107-E110 WeakPolarHBondContact CE1-OE1 3.17Å; F107-H180 HydrophobicContact CE2-CB 3.99Å; F107-H180 HydrophobicContact CZ-CB 3.49Å; F107-H180 VanDerWaalsContact CZ-CB 3.49Å; F107-I183 HydrophobicContact CD1-CB 4.22Å; F107-I183 HydrophobicContact CD1-CG2 3.99Å; F107-I183 HydrophobicContact CD2-CB 4.41Å; F107-I183 HydrophobicContact CD2-CG2 3.84Å; F107-I183 HydrophobicContact CE1-CB 3.95Å; F107-I183 HydrophobicContact CE1-CG2 4.21Å; F107-I183 HydrophobicContact CE2-CB 4.18Å; F107-I183 HydrophobicContact CE2-CG2 4.09Å; F107-I183 HydrophobicContact CG-CB 4.49Å; F107-I183 HydrophobicContact CG-CG2 3.85Å; F107-I183 HydrophobicContact CZ-CB 3.97Å; F107-I183 HydrophobicContact CZ-CG2 4.29Å |
| 108 | S | 73.4 | Confident | 69.6 | Low | 94 Ų | 94 | 47 Ų | 47 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -72.4 | -22.6 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | Q104 A105 | Q104-S108 WeakPolarHBondContact O-CB 3.41Å; Q104-S108 PolarHBondContact O-N 3.45Å; Q104-S108 VanDerWaalsContact O-N 3.14Å; Q104-S108 PolarHBondContact O-OG 2.96Å; A105-S108 PolarHBondContact O-N 3.15Å; A105-S108 PolarHBondContact O-OG 2.85Å |
| 109 | S | 69.7 | Low | 69.6 | Low | 33 Ų | 33 | 49.9 Ų | 49.9 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -141.5 | 39.6 | -168.6 | 33.8 | 0 | 0 | 0 | 0 | 113 | A105 F107 N111 F112 F113 | A105-S109 PolarHBondContact O-OG 3.33Å; F107-S109 VanDerWaalsContact C-N 3.31Å; F107-S109 PolarHBondContact O-N 3.44Å; S109-N111 VanDerWaalsContact C-N 3.32Å; S109-N111 PolarHBondContact O-N 3.48Å; S109-N111 VanDerWaalsContact O-N 3.15Å; S109-F112 WeakPolarHBondContact O-CA 3.34Å; S109-F112 VanDerWaalsContact O-CB 3.32Å; S109-F112 WeakPolarHBondContact O-CB 3.31Å; S109-F112 PolarHBondContact O-N 3.43Å; S109-F113 VanDerWaalsContact O-CD2 3.26Å; S109-F113 WeakPolarHBondContact O-CD2 3.29Å; S109-F113 PolarHBondContact O-N 2.89Å; S109-F113 VanDerWaalsContact OG-CE2 3.32Å; S109-F113 WeakPolarHBondContact OG-CE2 3.5Å |
| 110 | E | 70.8 | Confident | 69.4 | Low | 11 Ų | 11 | 50.5 Ų | 50.5 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.7 | -39.6 | -173.9 | -58.8 | -167.4 | 121.5 | 0 | 0 | 115.2 | F107 F112 F113 F114 W177 S184 H185 L186 | F107-E110 HydrophobicContact CD1-CG 4.44Å; F107-E110 WeakPolarHBondContact CD1-OE1 3.43Å; F107-E110 WeakPolarHBondContact CE1-OE1 3.17Å; E110-F112 VanDerWaalsContact C-N 3.29Å; E110-F112 PolarHBondContact O-N 3.17Å; E110-F113 PolarHBondContact O-N 3.34Å; E110-F114 PolarHBondContact O-N 3.23Å; E110-W177 HydrophobicContact CB-CZ2 4.43Å; E110-S184 WeakPolarHBondContact OE1-CA 3.34Å; E110-S184 WeakPolarHBondContact OE1-CB 3.06Å; E110-H185 PolarHBondContact OE2-N 2.87Å; E110-L186 HydrophobicContact CB-CD1 3.92Å; E110-L186 HydrophobicContact CB-CG 4.34Å; E110-L186 PolarHBondContact OE2-N 3.05Å |
| 111 | N | 67.6 | Low | 69 | Low | 120 Ų | 120 | 48.4 Ų | 48.4 | 64% | 0.642 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66 | -32 | 177.7 | -76.7 | -30.6 | 0 | 0 | 0 | 112.7 | S109 S115 L186 | S109-N111 VanDerWaalsContact C-N 3.32Å; S109-N111 PolarHBondContact O-N 3.48Å; S109-N111 VanDerWaalsContact O-N 3.15Å; N111-S115 WeakPolarHBondContact O-CB 3.3Å; N111-S115 PolarHBondContact O-N 2.78Å; N111-S115 VanDerWaalsContact O-N 3.11Å; N111-L186 WeakPolarHBondContact OD1-CD2 3.44Å |
| 112 | F | 70.7 | Confident | 68.1 | Low | 36 Ų | 36 | 50.1 Ų | 50.1 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.8 | -47.4 | 177.8 | 168.9 | -101.8 | 0 | 0 | 0 | 110.5 | L49 F53 S109 E110 F114 S115 C116 | L49-F112 HydrophobicContact CB-CD2 4.43Å; L49-F112 HydrophobicContact CB-CE1 4.45Å; L49-F112 HydrophobicContact CB-CE2 3.76Å; L49-F112 HydrophobicContact CB-CZ 3.79Å; L49-F112 WeakPolarHBondContact O-CE1 3.37Å; L49-F112 WeakPolarHBondContact O-CZ 3.27Å; F53-F112 HydrophobicContact CB-CE1 3.95Å; F53-F112 HydrophobicContact CB-CZ 4.36Å; S109-F112 WeakPolarHBondContact O-CA 3.34Å; S109-F112 VanDerWaalsContact O-CB 3.32Å; S109-F112 WeakPolarHBondContact O-CB 3.31Å; S109-F112 PolarHBondContact O-N 3.43Å; E110-F112 VanDerWaalsContact C-N 3.29Å; E110-F112 PolarHBondContact O-N 3.17Å; F112-F114 VanDerWaalsContact C-N 3.27Å; F112-F114 PolarHBondContact O-N 2.79Å; F112-S115 WeakPolarHBondContact O-CB 3.4Å; F112-S115 PolarHBondContact O-N 3.16Å; F112-S115 VanDerWaalsContact O-N 3.1Å; F112-C116 VanDerWaalsContact CE2-SG 3.6Å; F112-C116 WeakPolarHBondContact CZ-SG 3.45Å; F112-C116 PolarHBondContact O-N 3.24Å; F112-C116 PolarHBondContact O-SG 2.99Å; F112-C116 VanDerWaalsContact O-SG 3.39Å |
| 113 | F | 70.9 | Confident | 67.2 | Low | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.9 | -40.7 | 173.7 | -74.5 | -78.3 | 0 | 0 | 0 | 112.2 | F53 C56 A105 I106 S109 E110 C116 L117 F173 | F53-F113 HydrophobicContact CB-CE1 4.48Å; F53-F113 AromaticContact CD2-CD1 3.35Å; F53-F113 HydrophobicContact CD2-CD1 3.35Å; F53-F113 AromaticContact CD2-CE1 3.64Å; F53-F113 HydrophobicContact CD2-CE1 3.64Å; F53-F113 HydrophobicContact CD2-CG 4.41Å; F53-F113 AromaticContact CE2-CD1 3.76Å; F53-F113 HydrophobicContact CE2-CD1 3.76Å; F53-F113 HydrophobicContact CE2-CE1 4.36Å; C56-F113 HydrophobicContact CB-CE1 4.26Å; A105-F113 WeakPolarHBondContact O-CE2 3.05Å; I106-F113 HydrophobicContact CG1-CZ 4.43Å; I106-F113 WeakPolarHBondContact O-CD2 3.41Å; S109-F113 VanDerWaalsContact O-CD2 3.26Å; S109-F113 WeakPolarHBondContact O-CD2 3.29Å; S109-F113 PolarHBondContact O-N 2.89Å; S109-F113 VanDerWaalsContact OG-CE2 3.32Å; S109-F113 WeakPolarHBondContact OG-CE2 3.5Å; E110-F113 PolarHBondContact O-N 3.34Å; F113-C116 PolarHBondContact O-N 3.26Å; F113-L117 WeakPolarHBondContact O-CB 3.13Å; F113-L117 PolarHBondContact O-N 3.22Å; F113-F173 HydrophobicContact CB-CZ 3.86Å; F113-F173 AromaticContact CD1-CE2 3.61Å; F113-F173 HydrophobicContact CD1-CE2 3.61Å; F113-F173 AromaticContact CD1-CZ 3.45Å; F113-F173 HydrophobicContact CD1-CZ 3.45Å; F113-F173 VanDerWaalsContact CD1-CZ 3.45Å; F113-F173 AromaticContact CE1-CE2 3.98Å; F113-F173 HydrophobicContact CE1-CE2 3.98Å; F113-F173 HydrophobicContact CE1-CZ 4.28Å; F113-F173 HydrophobicContact CG-CE2 4.33Å; F113-F173 AromaticContact CG-CZ 3.83Å; F113-F173 HydrophobicContact CG-CZ 3.83Å |
| 114 | F | 70.6 | Confident | 66.3 | Low | 46 Ų | 46 | 51 Ų | 51 | 20% | 0.202 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 173.7 | -174.8 | -113.2 | 0 | 0 | 0 | 112.8 | E110 F112 C116 L117 S118 W177 I194 E197 | E110-F114 PolarHBondContact O-N 3.23Å; F112-F114 VanDerWaalsContact C-N 3.27Å; F112-F114 PolarHBondContact O-N 2.79Å; F114-C116 VanDerWaalsContact C-N 3.33Å; F114-C116 PolarHBondContact O-N 2.89Å; F114-L117 PolarHBondContact O-N 3.21Å; F114-S118 VanDerWaalsContact O-CB 3.31Å; F114-S118 WeakPolarHBondContact O-CB 3.17Å; F114-S118 PolarHBondContact O-N 3.29Å; F114-W177 HydrophobicContact CB-CH2 3.85Å; F114-W177 HydrophobicContact CD2-CH2 4.07Å; F114-W177 HydrophobicContact CD2-CZ3 4.42Å; F114-W177 HydrophobicContact CG-CH2 4.41Å; F114-I194 HydrophobicContact CD2-CB 4.39Å; F114-I194 HydrophobicContact CD2-CD1 4.27Å; F114-I194 HydrophobicContact CD2-CG1 3.78Å; F114-I194 HydrophobicContact CD2-CG2 3.97Å; F114-I194 HydrophobicContact CE1-CG1 4.4Å; F114-I194 HydrophobicContact CE2-CB 3.95Å; F114-I194 HydrophobicContact CE2-CD1 4.47Å; F114-I194 HydrophobicContact CE2-CG1 3.5Å; F114-I194 HydrophobicContact CE2-CG2 3.83Å; F114-I194 HydrophobicContact CG-CG1 4.36Å; F114-I194 HydrophobicContact CZ-CG1 3.83Å; F114-E197 WeakPolarHBondContact CZ-OE2 3.44Å |
| 115 | S | 64.7 | Low | 65.3 | Low | 39 Ų | 39 | 45 Ų | 45 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 177.1 | 157.5 | 0 | 0 | 0 | 0 | 111.9 | N111 F112 R119 | N111-S115 WeakPolarHBondContact O-CB 3.3Å; N111-S115 PolarHBondContact O-N 2.78Å; N111-S115 VanDerWaalsContact O-N 3.11Å; F112-S115 WeakPolarHBondContact O-CB 3.4Å; F112-S115 PolarHBondContact O-N 3.16Å; F112-S115 VanDerWaalsContact O-N 3.1Å; S115-R119 WeakPolarHBondContact O-CB 3.44Å; S115-R119 WeakPolarHBondContact O-CG 3.48Å; S115-R119 PolarHBondContact O-N 2.72Å |
| 116 | C | 66.5 | Low | 64.4 | Low | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -46.6 | 176.7 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | F53 F112 F113 F114 R119 M120 | F53-C116 HydrophobicContact CD1-CB 4.31Å; F53-C116 HydrophobicContact CD2-CB 3.83Å; F53-C116 HydrophobicContact CE1-CB 4.32Å; F53-C116 HydrophobicContact CE2-CB 3.88Å; F53-C116 HydrophobicContact CG-CB 4.08Å; F53-C116 HydrophobicContact CZ-CB 4.13Å; F112-C116 VanDerWaalsContact CE2-SG 3.6Å; F112-C116 WeakPolarHBondContact CZ-SG 3.45Å; F112-C116 PolarHBondContact O-N 3.24Å; F112-C116 PolarHBondContact O-SG 2.99Å; F112-C116 VanDerWaalsContact O-SG 3.39Å; F113-C116 PolarHBondContact O-N 3.26Å; F114-C116 VanDerWaalsContact C-N 3.33Å; F114-C116 PolarHBondContact O-N 2.89Å; C116-R119 PolarHBondContact O-N 3.47Å; C116-M120 WeakPolarHBondContact O-CB 3.32Å; C116-M120 VanDerWaalsContact O-CG 3.27Å; C116-M120 WeakPolarHBondContact O-CG 3.14Å; C116-M120 PolarHBondContact O-N 3.22Å |
| 117 | L | 67.3 | Low | 63.2 | Low | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 175.1 | -107 | 143.9 | 0 | 0 | 0 | 113 | F113 F114 M120 M121 V170 F173 V174 W177 | F113-L117 WeakPolarHBondContact O-CB 3.13Å; F113-L117 PolarHBondContact O-N 3.22Å; F114-L117 PolarHBondContact O-N 3.21Å; L117-M120 PolarHBondContact O-N 2.83Å; L117-M121 HydrophobicContact CD2-CE 4.42Å; L117-M121 HydrophobicContact CD2-CG 4.43Å; L117-M121 HydrophobicContact CD2-SD 3.75Å; L117-M121 WeakPolarHBondContact O-CB 3.08Å; L117-M121 WeakPolarHBondContact O-CG 3.49Å; L117-M121 PolarHBondContact O-N 2.93Å; L117-V170 HydrophobicContact CD2-CG1 4.34Å; L117-F173 HydrophobicContact CD1-CD1 3.57Å; L117-F173 HydrophobicContact CD1-CE1 3.29Å; L117-F173 HydrophobicContact CD1-CZ 4.41Å; L117-V174 HydrophobicContact CD1-CG2 4.07Å; L117-V174 HydrophobicContact CD2-CG2 3.68Å; L117-W177 HydrophobicContact CD1-CE3 4.39Å; L117-W177 HydrophobicContact CD1-CZ3 4.16Å |
| 118 | S | 63.9 | Low | 61.8 | Low | 29 Ų | 29 | 50.2 Ų | 50.2 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 176.8 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | F114 M120 M121 H122 | F114-S118 VanDerWaalsContact O-CB 3.31Å; F114-S118 WeakPolarHBondContact O-CB 3.17Å; F114-S118 PolarHBondContact O-N 3.29Å; S118-M120 PolarHBondContact O-N 2.81Å; S118-M121 PolarHBondContact O-N 3.17Å; S118-H122 PolarHBondContact O-CD2 2.81Å; S118-H122 PolarHBondContact O-N 2.73Å |
| 119 | R | 63 | Low | 59.6 | Low | 123 Ų | 123 | 51.7 Ų | 51.7 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.3 | -78.8 | 178.6 | -173.2 | 161.2 | 2.2 | 112.7 | S115 C116 V123 | S115-R119 WeakPolarHBondContact O-CB 3.44Å; S115-R119 WeakPolarHBondContact O-CG 3.48Å; S115-R119 PolarHBondContact O-N 2.72Å; C116-R119 PolarHBondContact O-N 3.47Å; R119-V123 WeakPolarHBondContact O-CG2 3.42Å |
| 120 | M | 62.1 | Low | 57.6 | Low | 25 Ų | 25 | 57.4 Ų | 57.4 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 177.1 | -76.5 | 170.9 | 50 | 0 | 0 | 112.8 | F53 C116 L117 S118 H122 V123 F166 V170 | F53-M120 HydrophobicContact CE1-CE 4.37Å; F53-M120 HydrophobicContact CE1-SD 3.42Å; F53-M120 WeakPolarHBondContact CE1-SD 3.36Å; F53-M120 HydrophobicContact CZ-CE 4.48Å; F53-M120 HydrophobicContact CZ-SD 3.72Å; C116-M120 WeakPolarHBondContact O-CB 3.32Å; C116-M120 VanDerWaalsContact O-CG 3.27Å; C116-M120 WeakPolarHBondContact O-CG 3.14Å; C116-M120 PolarHBondContact O-N 3.22Å; L117-M120 PolarHBondContact O-N 2.83Å; S118-M120 PolarHBondContact O-N 2.81Å; M120-H122 VanDerWaalsContact C-N 3.34Å; M120-V123 PolarHBondContact O-N 3.03Å; M120-F166 HydrophobicContact CE-CE1 3.79Å; M120-F166 HydrophobicContact CE-CE2 4.03Å; M120-F166 HydrophobicContact CE-CZ 3.21Å; M120-F166 HydrophobicContact SD-CZ 4.29Å; M120-V170 HydrophobicContact CE-CG2 3.63Å |
| 121 | M | 59.8 | Low | 55.5 | Low | 43 Ų | 43 | 63.7 Ų | 63.7 | 21% | 0.212 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -81.9 | -11.3 | -176.8 | -66.9 | -173.5 | -34.3 | 0 | 0 | 113.8 | L117 S118 I198 S201 L205 | L117-M121 HydrophobicContact CD2-CE 4.42Å; L117-M121 HydrophobicContact CD2-CG 4.43Å; L117-M121 HydrophobicContact CD2-SD 3.75Å; L117-M121 WeakPolarHBondContact O-CB 3.08Å; L117-M121 WeakPolarHBondContact O-CG 3.49Å; L117-M121 PolarHBondContact O-N 2.93Å; S118-M121 PolarHBondContact O-N 3.17Å; M121-I198 HydrophobicContact CE-CG1 4.19Å; M121-S201 VanDerWaalsContact CE-CB 3.4Å; M121-S201 WeakPolarHBondContact CE-OG 3.47Å; M121-S201 WeakPolarHBondContact SD-CB 3.46Å; M121-L205 HydrophobicContact CG-CD1 4.39Å; M121-L205 HydrophobicContact SD-CD1 4.06Å |
| 122 | H | 53 | Low | 53.6 | Low | 158 Ų | 158 | 65.4 Ų | 65.4 | 73% | 0.731 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -4.7 | 171.9 | -84.2 | -58 | 0 | 0 | 0 | 114.3 | S118 M120 | S118-H122 PolarHBondContact O-CD2 2.81Å; S118-H122 PolarHBondContact O-N 2.73Å; M120-H122 VanDerWaalsContact C-N 3.34Å |
| 123 | V | 52 | Low | 51.7 | Low | 53 Ų | 53 | 74.8 Ų | 74.8 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -98.5 | 126.5 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | R119 M120 | R119-V123 WeakPolarHBondContact O-CG2 3.42Å; M120-V123 PolarHBondContact O-N 3.03Å |
| 124 | D | 53.2 | Low | 49.6 | Very low | 70 Ų | 70 | 78 Ų | 78 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | trans | -50.6 | 145.1 | 171.3 | -153.4 | 19.4 | 0 | 0 | 0 | 108.5 | L126 G127 | D124-L126 PolarHBondContact O-N 3.33Å; D124-G127 PolarHBondContact O-N 3.44Å | ||
| 125 | P | 52.7 | Low | 47.6 | Very low | 23 Ų | 23 | 80.3 Ų | 80.3 | 15% | 0.149 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -11.6 | -173.9 | -26 | 35.8 | 0 | 0 | 0 | 114.8 | Y167 C208 W287 | P125-Y167 PolarHBondContact O-OH 2.89Å; P125-C208 WeakPolarHBondContact CG-SG 3.14Å; P125-W287 HydrophobicContact CB-CH2 3.64Å; P125-W287 HydrophobicContact CB-CZ2 3.6Å; P125-W287 HydrophobicContact CB-CZ3 4.48Å; P125-W287 HydrophobicContact CG-CH2 4.14Å; P125-W287 HydrophobicContact CG-CZ2 3.58Å |
| 126 | L | 52.5 | Low | 46 | Very low | 14 Ų | 14 | 88.7 Ų | 88.7 | 7% | 0.073 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 3.3 | -173.4 | -65.9 | 155.3 | 0 | 0 | 0 | 113.9 | D124 V283 N284 W287 | D124-L126 PolarHBondContact O-N 3.33Å; L126-V283 HydrophobicContact CD2-CB 3.74Å; L126-V283 HydrophobicContact CD2-CG1 3.47Å; L126-V283 VanDerWaalsContact CD2-CG1 3.47Å; L126-N284 VanDerWaalsContact CB-OD1 3.27Å; L126-N284 WeakPolarHBondContact CB-OD1 3.22Å; L126-N284 WeakPolarHBondContact CD1-OD1 3.42Å; L126-N284 WeakPolarHBondContact CD2-OD1 3.48Å; L126-N284 VanDerWaalsContact CG-OD1 3.29Å; L126-N284 WeakPolarHBondContact CG-OD1 3.49Å; L126-W287 HydrophobicContact CD1-CB 4.36Å; L126-W287 HydrophobicContact CD1-CD2 3.94Å; L126-W287 HydrophobicContact CD1-CE3 4.02Å; L126-W287 HydrophobicContact CD1-CG 4.09Å |
| 127 | G | 47.5 | Very low | 44.2 | Very low | 31 Ų | 31 | 91.9 Ų | 91.9 | 32% | 0.32 | 49% | 0.486 | S | S | . | . | S | Bend | trans | 78.4 | 29.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | D124 | D124-G127 PolarHBondContact O-N 3.44Š|
| 128 | K | 46.2 | Very low | 42.6 | Very low | 101 Ų | 101 | 96.5 Ų | 96.5 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | trans | -120.6 | 143.9 | 177.4 | -72.4 | -172.9 | 179.3 | -178.1 | 0 | 113.6 | ||||
| 129 | P | 27.9 | Very low | 41.3 | Very low | 124 Ų | 124 | 99.1 Ų | 99.1 | 81% | 0.805 | 54% | 0.539 | S | S | * | . | trans | -74.1 | 131.1 | 163.4 | 28.7 | -29.3 | 0 | 0 | 0 | 110.9 | N131 | P129-N131 PolarHBondContact O-N 2.99Š| ||
| 130 | L | 26.2 | Very low | 40.2 | Very low | 153 Ų | 153 | 105.6 Ų | 105.6 | 80% | 0.801 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -61.2 | 98.1 | 170.2 | -74.3 | 147.5 | 0 | 0 | 0 | 109.9 | ||
| 131 | N | 27.6 | Very low | 39.3 | Very low | 144 Ų | 144 | 105.4 Ų | 105.4 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | trans | 167.6 | 111.8 | 152.3 | -88.5 | -24.4 | 0 | 0 | 0 | 110.5 | P129 | P129-N131 PolarHBondContact O-N 2.99Š| ||
| 132 | N | 26.9 | Very low | 38.9 | Very low | 156 Ų | 156 | 108.6 Ų | 108.6 | 83% | 0.834 | 59% | 0.589 | S | S | * | * | 164.9 | 136.9 | 116.9 | -84.4 | -26.3 | 0 | 0 | 0 | 113 | |||||
| 133 | Y | 30.8 | Very low | 39 | Very low | 232 Ų | 232 | 108.1 Ų | 108.1 | 91% | 0.91 | 59% | 0.592 | S | S | * | * | trans | -63.7 | 138.8 | 169.2 | -70.7 | -105 | 0 | 0 | 0 | 111.7 | ||||
| 134 | A | 26.6 | Very low | 39.3 | Very low | 71 Ų | 71 | 107.1 Ų | 107.1 | 59% | 0.587 | 58% | 0.584 | S | S | * | * | trans | 163.2 | 160.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 135 | S | 29.7 | Very low | 39.9 | Very low | 93 Ų | 93 | 107.1 Ų | 107.1 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | cis | -169.6 | 131.9 | -24.6 | 53.2 | 0 | 0 | 0 | 0 | 104.8 | S137 | S135-S137 PolarHBondContact O-N 2.73Š| ||
| 136 | K | 29.9 | Very low | 40.5 | Very low | 216 Ų | 216 | 112.1 Ų | 112.1 | 94% | 0.939 | 61% | 0.606 | S | S | * | * | trans | -56.5 | 117.3 | -174 | -67.9 | 175.1 | 175.4 | -179.7 | 0 | 112.4 | ||||
| 137 | S | 30.1 | Very low | 41.3 | Very low | 70 Ų | 70 | 115.7 Ų | 115.7 | 49% | 0.49 | 62% | 0.621 | S | S | . | * | trans | -138.6 | 118.7 | 158.2 | 87.9 | 0 | 0 | 0 | 0 | 111.7 | S135 T139 | S135-S137 PolarHBondContact O-N 2.73Å; S137-T139 PolarHBondContact O-N 2.95Å | ||
| 138 | A | 32.3 | Very low | 42.4 | Very low | 97 Ų | 97 | 114.6 Ų | 114.6 | 80% | 0.802 | 61% | 0.608 | S | S | * | * | trans | -85.7 | 105.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 139 | T | 37.8 | Very low | 43.7 | Very low | 84 Ų | 84 | 110.6 Ų | 110.6 | 52% | 0.515 | 59% | 0.591 | S | S | . | * | trans | -122.2 | 131.8 | 167.3 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | S137 A141 | S137-T139 PolarHBondContact O-N 2.95Å; T139-A141 PolarHBondContact O-N 3.2Å | ||
| 140 | R | 38.5 | Very low | 45.7 | Very low | 259 Ų | 259 | 107 Ų | 107 | 98% | 0.977 | 57% | 0.565 | S | S | * | * | trans | -66.6 | 100 | -178.9 | -84.4 | 179.6 | 170.5 | 173.5 | -3 | 110 | ||||
| 141 | A | 45 | Very low | 48 | Very low | 22 Ų | 22 | 100.4 Ų | 100.4 | 18% | 0.182 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 150.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T139 R253 L257 | T139-A141 PolarHBondContact O-N 3.2Å; A141-R253 PolarHBondContact O-NH2 2.75Å; A141-L257 HydrophobicContact CB-CD1 3.42Å; A141-L257 VanDerWaalsContact CB-CD1 3.42Å; A141-L257 HydrophobicContact CB-CD2 3.59Å; A141-L257 HydrophobicContact CB-CG 4.12Å |
| 142 | P | 50.9 | Low | 50.3 | Low | 109 Ų | 109 | 93.8 Ų | 93.8 | 71% | 0.708 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 150.1 | 178.8 | 25.3 | -32.3 | 0 | 0 | 0 | 111.8 | L144 R253 | P142-L144 PolarHBondContact O-N 2.79Å; P142-R253 PolarHBondContact O-NH2 2.76Å |
| 143 | L | 54.4 | Low | 52.5 | Low | 148 Ų | 148 | 86.6 Ų | 86.6 | 78% | 0.775 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 117.9 | 171 | -82.8 | 141.8 | 0 | 0 | 0 | 108.6 | S145 | L143-S145 PolarHBondContact O-N 3Š|
| 144 | L | 59.6 | Low | 54.6 | Low | 33 Ų | 33 | 78.3 Ų | 78.3 | 17% | 0.173 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 133.7 | 166.9 | -76.8 | 169.7 | 0 | 0 | 0 | 108.3 | P142 A148 F149 W247 F271 | P142-L144 PolarHBondContact O-N 2.79Å; L144-A148 HydrophobicContact CB-CB 4.17Å; L144-A148 HydrophobicContact CD2-CB 3.82Å; L144-F149 HydrophobicContact CB-CD2 4.3Å; L144-F149 HydrophobicContact CB-CE1 4.39Å; L144-F149 HydrophobicContact CB-CE2 3.78Å; L144-F149 HydrophobicContact CB-CZ 3.84Å; L144-F149 HydrophobicContact CD1-CE1 4.1Å; L144-F149 HydrophobicContact CD1-CZ 4.25Å; L144-F149 WeakPolarHBondContact O-CE2 3.48Å; L144-W247 HydrophobicContact CD1-CD2 3.44Å; L144-W247 VanDerWaalsContact CD1-CD2 3.44Å; L144-W247 VanDerWaalsContact CD1-CE2 3.44Å; L144-W247 HydrophobicContact CD1-CE3 3.56Å; L144-W247 HydrophobicContact CD1-CG 4.09Å; L144-W247 HydrophobicContact CD1-CH2 3.72Å; L144-W247 HydrophobicContact CD1-CZ2 3.61Å; L144-W247 HydrophobicContact CD1-CZ3 3.7Å; L144-W247 HydrophobicContact CG-CD2 4.19Å; L144-W247 HydrophobicContact CG-CH2 4.06Å; L144-W247 HydrophobicContact CG-CZ2 3.61Å; L144-F271 HydrophobicContact CD2-CD2 4.12Å; L144-F271 HydrophobicContact CD2-CE2 3.81Å |
| 145 | S | 64.8 | Low | 56.9 | Low | 70 Ų | 70 | 75.3 Ų | 75.3 | 49% | 0.49 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 156.3 | 173.2 | 70.8 | 0 | 0 | 0 | 0 | 109.5 | L143 F147 A148 F149 | L143-S145 PolarHBondContact O-N 3Å; S145-F147 PolarHBondContact O-N 3.34Å; S145-A148 WeakPolarHBondContact O-CA 3.21Å; S145-A148 VanDerWaalsContact O-CB 3.27Å; S145-A148 WeakPolarHBondContact O-CB 3.12Å; S145-A148 PolarHBondContact O-N 2.98Å; S145-A148 PolarHBondContact OG-N 3.25Å; S145-F149 WeakPolarHBondContact O-CD2 3.5Å; S145-F149 PolarHBondContact O-N 3.15Å |
| 146 | R | 65.4 | Low | 59 | Low | 127 Ų | 127 | 70.9 Ų | 70.9 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -48.7 | -44.6 | 171.3 | 176.4 | -174.4 | 175.1 | 165.7 | 12.2 | 112.6 | A148 F149 D150 T232 G233 | R146-A148 PolarHBondContact O-N 3.16Å; R146-F149 WeakPolarHBondContact O-CB 3.48Å; R146-F149 PolarHBondContact O-N 3.35Å; R146-D150 PolarHBondContact O-N 2.93Å; R146-T232 VanDerWaalsContact CZ-O 3.29Å; R146-T232 PolarHBondContact NH1-O 3.45Å; R146-T232 PolarHBondContact NH2-O 3.37Å; R146-T232 VanDerWaalsContact NH2-O 3.1Å; R146-G233 PolarHBondContact NH2-O 3.45Å |
| 147 | F | 69.3 | Low | 61.1 | Low | 90 Ų | 90 | 63.1 Ų | 63.1 | 40% | 0.395 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -33.9 | 177.9 | -169.4 | -109.3 | 0 | 0 | 0 | 112.3 | F14 I23 S145 D150 I151 | F14-F147 HydrophobicContact CE2-CE1 4.44Å; F14-F147 HydrophobicContact CZ-CE1 4.1Å; I23-F147 HydrophobicContact CD1-CE2 4.12Å; I23-F147 HydrophobicContact CD1-CZ 4.41Å; I23-F147 HydrophobicContact CG2-CZ 4.04Å; S145-F147 PolarHBondContact O-N 3.34Å; F147-D150 PolarHBondContact O-N 3.37Å; F147-I151 HydrophobicContact CD1-CD1 3.55Å; F147-I151 HydrophobicContact CD1-CG1 4.39Å; F147-I151 HydrophobicContact CE1-CD1 3.35Å; F147-I151 HydrophobicContact CE1-CG1 4.22Å; F147-I151 HydrophobicContact CG-CD1 4.38Å; F147-I151 HydrophobicContact CZ-CD1 4.02Å; F147-I151 HydrophobicContact CZ-CG1 4.47Å; F147-I151 VanDerWaalsContact O-CG1 3.28Å; F147-I151 WeakPolarHBondContact O-CG1 3.41Å; F147-I151 PolarHBondContact O-N 3.42Å |
| 148 | A | 70.4 | Confident | 63.2 | Low | 7 Ų | 7 | 61.5 Ų | 61.5 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.8 | -34.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L144 S145 R146 L152 F271 | L144-A148 HydrophobicContact CB-CB 4.17Å; L144-A148 HydrophobicContact CD2-CB 3.82Å; S145-A148 WeakPolarHBondContact O-CA 3.21Å; S145-A148 VanDerWaalsContact O-CB 3.27Å; S145-A148 WeakPolarHBondContact O-CB 3.12Å; S145-A148 PolarHBondContact O-N 2.98Å; S145-A148 PolarHBondContact OG-N 3.25Å; R146-A148 PolarHBondContact O-N 3.16Å; A148-L152 WeakPolarHBondContact O-CB 3.46Å; A148-L152 PolarHBondContact O-N 3.47Å; A148-F271 HydrophobicContact CB-CD2 4.39Å; A148-F271 HydrophobicContact CB-CE1 4.36Å; A148-F271 HydrophobicContact CB-CE2 3.69Å; A148-F271 HydrophobicContact CB-CZ 3.66Å |
| 149 | F | 73.8 | Confident | 65.2 | Low | 18 Ų | 18 | 57.1 Ų | 57.1 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 172.3 | -72.4 | -67.6 | 0 | 0 | 0 | 112.4 | L144 S145 R146 L152 A153 T240 C243 R244 W247 | L144-F149 HydrophobicContact CB-CD2 4.3Å; L144-F149 HydrophobicContact CB-CE1 4.39Å; L144-F149 HydrophobicContact CB-CE2 3.78Å; L144-F149 HydrophobicContact CB-CZ 3.84Å; L144-F149 HydrophobicContact CD1-CE1 4.1Å; L144-F149 HydrophobicContact CD1-CZ 4.25Å; L144-F149 WeakPolarHBondContact O-CE2 3.48Å; S145-F149 WeakPolarHBondContact O-CD2 3.5Å; S145-F149 PolarHBondContact O-N 3.15Å; R146-F149 WeakPolarHBondContact O-CB 3.48Å; R146-F149 PolarHBondContact O-N 3.35Å; F149-L152 PolarHBondContact O-N 3.16Å; F149-A153 VanDerWaalsContact O-CB 3.31Å; F149-A153 WeakPolarHBondContact O-CB 3.4Å; F149-A153 PolarHBondContact O-N 2.94Å; F149-T240 HydrophobicContact CB-CG2 4.32Å; F149-C243 HydrophobicContact CD1-CB 4.14Å; F149-C243 WeakPolarHBondContact CE1-O 3.23Å; F149-R244 HydrophobicContact CD1-CB 4.43Å; F149-R244 HydrophobicContact CE1-CB 4.4Å; F149-W247 HydrophobicContact CE1-CB 3.61Å; F149-W247 AromaticContact CE1-CG 3.91Å; F149-W247 HydrophobicContact CE1-CG 3.91Å; F149-W247 HydrophobicContact CZ-CB 3.77Å; F149-W247 AromaticContact CZ-CD1 3.65Å; F149-W247 AromaticContact CZ-CG 3.74Å; F149-W247 HydrophobicContact CZ-CG 3.74Å |
| 150 | D | 70.8 | Confident | 67 | Low | 49 Ų | 49 | 53.2 Ų | 53.2 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 177.6 | -64.2 | -30.1 | 0 | 0 | 0 | 111.4 | R146 F147 L152 A153 A154 T240 | R146-D150 PolarHBondContact O-N 2.93Å; F147-D150 PolarHBondContact O-N 3.37Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 3.46Å; D150-A153 PolarHBondContact O-N 3.06Å; D150-A154 WeakPolarHBondContact O-CB 3.45Å; D150-A154 PolarHBondContact O-N 3.43Å; D150-T240 VanDerWaalsContact OD1-CG2 3.3Å; D150-T240 WeakPolarHBondContact OD1-CG2 3.24Å |
| 151 | I | 74.5 | Confident | 68.5 | Low | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 172.5 | -67.6 | 165.6 | 0 | 0 | 0 | 110.7 | F14 F147 A154 S155 F271 L275 | F14-I151 HydrophobicContact CE1-CD1 4.16Å; F14-I151 HydrophobicContact CE2-CD1 4.39Å; F14-I151 HydrophobicContact CZ-CD1 3.86Å; F147-I151 HydrophobicContact CD1-CD1 3.55Å; F147-I151 HydrophobicContact CD1-CG1 4.39Å; F147-I151 HydrophobicContact CE1-CD1 3.35Å; F147-I151 HydrophobicContact CE1-CG1 4.22Å; F147-I151 HydrophobicContact CG-CD1 4.38Å; F147-I151 HydrophobicContact CZ-CD1 4.02Å; F147-I151 HydrophobicContact CZ-CG1 4.47Å; F147-I151 VanDerWaalsContact O-CG1 3.28Å; F147-I151 WeakPolarHBondContact O-CG1 3.41Å; F147-I151 PolarHBondContact O-N 3.42Å; I151-A154 PolarHBondContact O-N 3.13Å; I151-S155 VanDerWaalsContact O-CB 3.29Å; I151-S155 WeakPolarHBondContact O-CB 2.95Å; I151-S155 PolarHBondContact O-N 3.47Å; I151-S155 PolarHBondContact O-OG 2.81Å; I151-F271 HydrophobicContact CB-CE1 4.08Å; I151-F271 HydrophobicContact CB-CZ 4.41Å; I151-F271 HydrophobicContact CD1-CE1 4.05Å; I151-F271 HydrophobicContact CG2-CE1 3.85Å; I151-F271 HydrophobicContact CG2-CZ 4.4Å; I151-L275 HydrophobicContact CG2-CD1 3.82Å; I151-L275 HydrophobicContact CG2-CD2 4.01Å |
| 152 | L | 74.5 | Confident | 69.8 | Low | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | -179 | -173.5 | 145.5 | 0 | 0 | 0 | 111.6 | A148 F149 D150 S155 L156 C243 L275 L278 V282 | A148-L152 WeakPolarHBondContact O-CB 3.46Å; A148-L152 PolarHBondContact O-N 3.47Å; F149-L152 PolarHBondContact O-N 3.16Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 3.46Å; L152-S155 PolarHBondContact O-N 3.41Å; L152-L156 HydrophobicContact CD2-CD1 3.57Å; L152-L156 HydrophobicContact CG-CD1 4.4Å; L152-L156 WeakPolarHBondContact O-CB 3.26Å; L152-L156 PolarHBondContact O-N 3.46Å; L152-C243 HydrophobicContact CD2-CB 3.62Å; L152-C243 WeakPolarHBondContact CD2-SG 3.4Å; L152-L275 HydrophobicContact CB-CD1 4.38Å; L152-L278 HydrophobicContact CD1-CB 3.6Å; L152-L278 HydrophobicContact CD1-CD1 3.81Å; L152-L278 HydrophobicContact CD1-CG 4.18Å; L152-V282 HydrophobicContact CD2-CG2 4.24Å |
| 153 | A | 74.3 | Confident | 70.8 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | F149 D150 S155 L156 S157 M239 | F149-A153 VanDerWaalsContact O-CB 3.31Å; F149-A153 WeakPolarHBondContact O-CB 3.4Å; F149-A153 PolarHBondContact O-N 2.94Å; D150-A153 PolarHBondContact O-N 3.06Å; A153-S155 VanDerWaalsContact C-N 3.31Å; A153-S155 PolarHBondContact O-N 3.35Å; A153-L156 WeakPolarHBondContact O-CB 3.08Å; A153-L156 PolarHBondContact O-N 2.88Å; A153-S157 PolarHBondContact O-N 3.23Å; A153-M239 HydrophobicContact CB-CB 4.03Å |
| 154 | A | 74.8 | Confident | 71.8 | Confident | 57 Ų | 57 | 37.6 Ų | 37.6 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.9 | -35.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D150 I151 S157 A158 | D150-A154 WeakPolarHBondContact O-CB 3.45Å; D150-A154 PolarHBondContact O-N 3.43Å; I151-A154 PolarHBondContact O-N 3.13Å; A154-S157 PolarHBondContact O-N 2.71Å; A154-S157 PolarHBondContact O-OG 3.23Å; A154-A158 WeakPolarHBondContact O-CB 3.41Å; A154-A158 PolarHBondContact O-N 2.91Å |
| 155 | S | 74.3 | Confident | 72.4 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.3 | -34.6 | 176.3 | -55.5 | 0 | 0 | 0 | 0 | 112 | I151 L152 A153 F159 L275 | I151-S155 VanDerWaalsContact O-CB 3.29Å; I151-S155 WeakPolarHBondContact O-CB 2.95Å; I151-S155 PolarHBondContact O-N 3.47Å; I151-S155 PolarHBondContact O-OG 2.81Å; L152-S155 PolarHBondContact O-N 3.41Å; A153-S155 VanDerWaalsContact C-N 3.31Å; A153-S155 PolarHBondContact O-N 3.35Å; S155-F159 VanDerWaalsContact O-CB 3.31Å; S155-F159 WeakPolarHBondContact O-CB 3.49Å; S155-F159 PolarHBondContact O-N 3Å; S155-L275 WeakPolarHBondContact OG-CD2 3.48Å |
| 156 | L | 74.5 | Confident | 72.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -44 | 170.6 | -94.5 | 148.5 | 0 | 0 | 0 | 111.7 | L152 A153 F159 V160 M239 C243 V279 V282 V283 | L152-L156 HydrophobicContact CD2-CD1 3.57Å; L152-L156 HydrophobicContact CG-CD1 4.4Å; L152-L156 WeakPolarHBondContact O-CB 3.26Å; L152-L156 PolarHBondContact O-N 3.46Å; A153-L156 WeakPolarHBondContact O-CB 3.08Å; A153-L156 PolarHBondContact O-N 2.88Å; L156-F159 PolarHBondContact O-N 2.82Å; L156-V160 WeakPolarHBondContact O-CB 3.46Å; L156-V160 WeakPolarHBondContact O-CG2 3.38Å; L156-V160 PolarHBondContact O-N 2.71Å; L156-M239 HydrophobicContact CB-CE 3.67Å; L156-M239 HydrophobicContact CD1-CE 4.2Å; L156-M239 HydrophobicContact CD2-CE 3.84Å; L156-M239 HydrophobicContact CG-CE 4.11Å; L156-C243 WeakPolarHBondContact CD1-SG 3.29Å; L156-V279 HydrophobicContact CD2-CG1 4.11Å; L156-V279 HydrophobicContact CG-CB 4.48Å; L156-V279 HydrophobicContact CG-CG1 4.05Å; L156-V279 HydrophobicContact CG-CG2 4.3Å; L156-V282 HydrophobicContact CD1-CB 3.86Å; L156-V282 HydrophobicContact CD1-CG1 3.54Å; L156-V282 HydrophobicContact CD1-CG2 4.33Å; L156-V282 HydrophobicContact CD2-CB 4.17Å; L156-V282 HydrophobicContact CD2-CG1 3.93Å; L156-V282 HydrophobicContact CG-CG1 4.4Å; L156-V283 HydrophobicContact CD2-CG2 3.51Å |
| 157 | S | 74.1 | Confident | 73.5 | Confident | 54 Ų | 54 | 30.4 Ų | 30.4 | 38% | 0.378 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 177.5 | 95 | 0 | 0 | 0 | 0 | 110.6 | A153 A154 F159 V160 D161 | A153-S157 PolarHBondContact O-N 3.23Å; A154-S157 PolarHBondContact O-N 2.71Å; A154-S157 PolarHBondContact O-OG 3.23Å; S157-F159 VanDerWaalsContact C-N 3.28Å; S157-F159 PolarHBondContact O-N 2.93Å; S157-V160 PolarHBondContact O-N 3.41Å; S157-V160 VanDerWaalsContact O-N 3.13Å; S157-D161 WeakPolarHBondContact O-CB 3.29Å; S157-D161 PolarHBondContact O-N 3.19Å |
| 158 | A | 73.7 | Confident | 73.9 | Confident | 35 Ų | 35 | 27.1 Ų | 27.1 | 29% | 0.289 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L29 A154 E162 | L29-A158 HydrophobicContact CD1-CB 4.27Å; A154-A158 WeakPolarHBondContact O-CB 3.41Å; A154-A158 PolarHBondContact O-N 2.91Å; A158-E162 WeakPolarHBondContact O-CG 3.19Å; A158-E162 PolarHBondContact O-N 3.18Å |
| 159 | F | 74.9 | Confident | 74.2 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 2% | 0.022 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 174.6 | 174.8 | -95.9 | 0 | 0 | 0 | 112.6 | Y33 S155 L156 S157 D161 E162 K163 V279 L280 V283 | Y33-F159 AromaticContact CD1-CD2 3.47Å; Y33-F159 HydrophobicContact CD1-CD2 3.47Å; Y33-F159 VanDerWaalsContact CD1-CD2 3.47Å; Y33-F159 AromaticContact CD1-CE2 3.48Å; Y33-F159 HydrophobicContact CD1-CE2 3.48Å; Y33-F159 VanDerWaalsContact CD1-CE2 3.48Å; Y33-F159 AromaticContact CD2-CD2 3.82Å; Y33-F159 HydrophobicContact CD2-CD2 3.82Å; Y33-F159 AromaticContact CE1-CD2 3.37Å; Y33-F159 HydrophobicContact CE1-CD2 3.37Å; Y33-F159 AromaticContact CE1-CE2 3.66Å; Y33-F159 HydrophobicContact CE1-CE2 3.66Å; Y33-F159 HydrophobicContact CE1-CG 4.34Å; Y33-F159 HydrophobicContact CE2-CB 4.13Å; Y33-F159 AromaticContact CE2-CD2 3.68Å; Y33-F159 HydrophobicContact CE2-CD2 3.68Å; Y33-F159 HydrophobicContact CE2-CG 4.38Å; Y33-F159 AromaticContact CG-CD2 3.73Å; Y33-F159 HydrophobicContact CG-CD2 3.73Å; Y33-F159 AromaticContact CG-CE2 3.99Å; Y33-F159 HydrophobicContact CG-CE2 3.99Å; Y33-F159 AromaticContact CZ-CD2 3.49Å; Y33-F159 VanDerWaalsContact CZ-CD2 3.49Å; S155-F159 VanDerWaalsContact O-CB 3.31Å; S155-F159 WeakPolarHBondContact O-CB 3.49Å; S155-F159 PolarHBondContact O-N 3Å; L156-F159 PolarHBondContact O-N 2.82Å; S157-F159 VanDerWaalsContact C-N 3.28Å; S157-F159 PolarHBondContact O-N 2.93Å; F159-D161 VanDerWaalsContact C-N 3.35Å; F159-E162 PolarHBondContact O-N 3.48Å; F159-K163 HydrophobicContact CD1-CG 4.3Å; F159-K163 HydrophobicContact CD2-CG 4.3Å; F159-K163 HydrophobicContact CE1-CG 3.86Å; F159-K163 HydrophobicContact CE2-CD 4.44Å; F159-K163 HydrophobicContact CE2-CG 3.9Å; F159-K163 HydrophobicContact CZ-CD 4.27Å; F159-K163 HydrophobicContact CZ-CG 3.68Å; F159-K163 WeakPolarHBondContact O-CB 3.13Å; F159-K163 WeakPolarHBondContact O-CG 3.24Å; F159-K163 PolarHBondContact O-N 3.47Å; F159-V279 HydrophobicContact CB-CG1 3.78Å; F159-V279 HydrophobicContact CD1-CG1 4.09Å; F159-V279 HydrophobicContact CD2-CG1 4.3Å; F159-V279 HydrophobicContact CG-CG1 3.78Å; F159-L280 HydrophobicContact CZ-CD2 4.38Å; F159-V283 HydrophobicContact CD1-CG2 3.79Å; F159-V283 HydrophobicContact CE1-CB 4.38Å; F159-V283 HydrophobicContact CE1-CG1 4.19Å; F159-V283 HydrophobicContact CE1-CG2 3.65Å |
| 160 | V | 74.1 | Confident | 74.4 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 178.6 | 169.9 | 0 | 0 | 0 | 0 | 110.2 | L156 S157 K163 L164 L212 V215 | L156-V160 WeakPolarHBondContact O-CB 3.46Å; L156-V160 WeakPolarHBondContact O-CG2 3.38Å; L156-V160 PolarHBondContact O-N 2.71Å; S157-V160 PolarHBondContact O-N 3.41Å; S157-V160 VanDerWaalsContact O-N 3.13Å; V160-K163 PolarHBondContact O-N 2.75Å; V160-L164 HydrophobicContact CG1-CD1 3.78Å; V160-L164 HydrophobicContact CG1-CG 4.33Å; V160-L164 VanDerWaalsContact O-CB 3.27Å; V160-L164 WeakPolarHBondContact O-CB 3.19Å; V160-L164 WeakPolarHBondContact O-CG 3.5Å; V160-L164 PolarHBondContact O-N 2.99Å; V160-L212 HydrophobicContact CB-CD2 4.48Å; V160-L212 HydrophobicContact CG1-CB 4.25Å; V160-L212 HydrophobicContact CG1-CD2 4.23Å; V160-L212 VanDerWaalsContact CG1-O 3.25Å; V160-L212 WeakPolarHBondContact CG1-O 3.28Å; V160-L212 HydrophobicContact CG2-CD2 3.96Å; V160-V215 HydrophobicContact CG1-CB 4.44Å; V160-V215 HydrophobicContact CG1-CG1 4.33Å; V160-V215 HydrophobicContact CG2-CG1 3.82Å |
| 161 | D | 71.5 | Confident | 74.9 | Confident | 88 Ų | 88 | 24 Ų | 24 | 47% | 0.471 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 178.2 | -66.3 | -24.1 | 0 | 0 | 0 | 111.7 | S157 F159 K163 L164 A165 | S157-D161 WeakPolarHBondContact O-CB 3.29Å; S157-D161 PolarHBondContact O-N 3.19Å; F159-D161 VanDerWaalsContact C-N 3.35Å; D161-K163 PolarHBondContact O-N 3.32Å; D161-L164 PolarHBondContact O-N 2.91Å; D161-A165 WeakPolarHBondContact O-CB 3.49Å; D161-A165 PolarHBondContact O-N 2.73Å |
| 162 | E | 70.9 | Confident | 75.3 | Confident | 83 Ų | 83 | 23.3 Ų | 23.3 | 39% | 0.388 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62 | -42.2 | 175.2 | -78.8 | -169.6 | 162.9 | 0 | 0 | 111.7 | A158 F159 F166 | A158-E162 WeakPolarHBondContact O-CG 3.19Å; A158-E162 PolarHBondContact O-N 3.18Å; F159-E162 PolarHBondContact O-N 3.48Å; E162-F166 VanDerWaalsContact O-CB 3.31Å; E162-F166 WeakPolarHBondContact O-CB 2.9Å; E162-F166 PolarHBondContact O-N 3.33Å |
| 163 | K | 73.3 | Confident | 75.7 | Confident | 20 Ų | 20 | 23.1 Ų | 23.1 | 9% | 0.087 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.3 | -35 | 178.5 | -74.4 | -67.8 | -177.5 | -179.1 | 0 | 112.8 | F159 V160 D161 F166 Y167 L212 | F159-K163 HydrophobicContact CD1-CG 4.3Å; F159-K163 HydrophobicContact CD2-CG 4.3Å; F159-K163 HydrophobicContact CE1-CG 3.86Å; F159-K163 HydrophobicContact CE2-CD 4.44Å; F159-K163 HydrophobicContact CE2-CG 3.9Å; F159-K163 HydrophobicContact CZ-CD 4.27Å; F159-K163 HydrophobicContact CZ-CG 3.68Å; F159-K163 WeakPolarHBondContact O-CB 3.13Å; F159-K163 WeakPolarHBondContact O-CG 3.24Å; F159-K163 PolarHBondContact O-N 3.47Å; V160-K163 PolarHBondContact O-N 2.75Å; D161-K163 PolarHBondContact O-N 3.32Å; K163-F166 PolarHBondContact O-N 3.04Å; K163-Y167 HydrophobicContact CB-CD2 4.27Å; K163-Y167 HydrophobicContact CB-CE2 4.07Å; K163-Y167 HydrophobicContact CD-CE2 4.28Å; K163-Y167 WeakPolarHBondContact O-CB 3.15Å; K163-Y167 WeakPolarHBondContact O-CD2 3.37Å; K163-Y167 PolarHBondContact O-N 3.22Å; K163-L212 HydrophobicContact CB-CD1 3.97Å |
| 164 | L | 73.8 | Confident | 75.9 | Confident | 20 Ų | 20 | 23.2 Ų | 23.2 | 11% | 0.105 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.3 | -49.3 | 174 | -86.8 | 168.1 | 0 | 0 | 0 | 111.4 | V160 D161 F166 Y167 R168 Y209 L212 S216 | V160-L164 HydrophobicContact CG1-CD1 3.78Å; V160-L164 HydrophobicContact CG1-CG 4.33Å; V160-L164 VanDerWaalsContact O-CB 3.27Å; V160-L164 WeakPolarHBondContact O-CB 3.19Å; V160-L164 WeakPolarHBondContact O-CG 3.5Å; V160-L164 PolarHBondContact O-N 2.99Å; D161-L164 PolarHBondContact O-N 2.91Å; L164-F166 VanDerWaalsContact C-N 3.28Å; L164-F166 PolarHBondContact O-N 2.86Å; L164-Y167 PolarHBondContact O-N 3.44Å; L164-R168 VanDerWaalsContact O-CB 3.25Å; L164-R168 WeakPolarHBondContact O-CB 3.42Å; L164-R168 PolarHBondContact O-N 2.78Å; L164-Y209 HydrophobicContact CD2-CD2 3.7Å; L164-Y209 HydrophobicContact CD2-CE2 3.7Å; L164-Y209 HydrophobicContact CD2-CG 4.44Å; L164-L212 HydrophobicContact CD2-CB 3.9Å; L164-L212 HydrophobicContact CG-CB 3.92Å; L164-S216 WeakPolarHBondContact CD1-OG 3.46Å |
| 165 | A | 73.4 | Confident | 76.2 | Confident | 16 Ų | 16 | 20.5 Ų | 20.5 | 13% | 0.132 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D161 R168 A169 | D161-A165 WeakPolarHBondContact O-CB 3.49Å; D161-A165 PolarHBondContact O-N 2.73Å; A165-R168 PolarHBondContact O-N 3.42Å; A165-A169 VanDerWaalsContact O-CB 3.29Å; A165-A169 WeakPolarHBondContact O-CB 3.3Å; A165-A169 PolarHBondContact O-N 3.16Å |
| 166 | F | 76 | Confident | 76.5 | Confident | 45 Ų | 45 | 20.4 Ų | 20.4 | 20% | 0.197 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -52.1 | 176.2 | -179.9 | -101.2 | 0 | 0 | 0 | 112.9 | A37 L57 M120 E162 K163 L164 R168 A169 V170 | A37-F166 HydrophobicContact CB-CZ 4.18Å; L57-F166 HydrophobicContact CD1-CD2 4.48Å; L57-F166 HydrophobicContact CD1-CE2 4.06Å; M120-F166 HydrophobicContact CE-CE1 3.79Å; M120-F166 HydrophobicContact CE-CE2 4.03Å; M120-F166 HydrophobicContact CE-CZ 3.21Å; M120-F166 HydrophobicContact SD-CZ 4.29Å; E162-F166 VanDerWaalsContact O-CB 3.31Å; E162-F166 WeakPolarHBondContact O-CB 2.9Å; E162-F166 PolarHBondContact O-N 3.33Å; K163-F166 PolarHBondContact O-N 3.04Å; L164-F166 VanDerWaalsContact C-N 3.28Å; L164-F166 PolarHBondContact O-N 2.86Å; F166-R168 VanDerWaalsContact C-N 3.32Å; F166-R168 PolarHBondContact O-N 2.83Å; F166-A169 PolarHBondContact O-N 2.97Å; F166-V170 HydrophobicContact CD1-CG2 4.37Å; F166-V170 HydrophobicContact CE1-CG2 4.16Å; F166-V170 HydrophobicContact CE2-CG2 4.37Å; F166-V170 HydrophobicContact CZ-CG2 4.2Å; F166-V170 VanDerWaalsContact O-CG2 3.26Å; F166-V170 WeakPolarHBondContact O-CG2 3.31Å; F166-V170 PolarHBondContact O-N 2.94Å |
| 167 | Y | 76.5 | Confident | 76.7 | Confident | 17 Ų | 17 | 20.5 Ų | 20.5 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.4 | -36.1 | -179.5 | -70.9 | -49.9 | 0 | 0 | 0 | 112.1 | P125 K163 L164 V170 L171 L205 C208 L212 | P125-Y167 PolarHBondContact O-OH 2.89Å; K163-Y167 HydrophobicContact CB-CD2 4.27Å; K163-Y167 HydrophobicContact CB-CE2 4.07Å; K163-Y167 HydrophobicContact CD-CE2 4.28Å; K163-Y167 WeakPolarHBondContact O-CB 3.15Å; K163-Y167 WeakPolarHBondContact O-CD2 3.37Å; K163-Y167 PolarHBondContact O-N 3.22Å; L164-Y167 PolarHBondContact O-N 3.44Å; Y167-V170 PolarHBondContact O-N 3.46Å; Y167-L171 WeakPolarHBondContact O-CB 3.45Å; Y167-L171 VanDerWaalsContact O-CG 3.24Å; Y167-L171 WeakPolarHBondContact O-CG 3.19Å; Y167-L171 PolarHBondContact O-N 3.17Å; Y167-L205 HydrophobicContact CD1-CD2 3.42Å; Y167-L205 VanDerWaalsContact CD1-CD2 3.42Å; Y167-L205 HydrophobicContact CE1-CD2 3.69Å; Y167-C208 HydrophobicContact CD2-CB 4.26Å; Y167-C208 HydrophobicContact CE2-CB 4.02Å; Y167-L212 HydrophobicContact CD2-CD1 3.58Å; Y167-L212 HydrophobicContact CE2-CD1 3.39Å |
| 168 | R | 77.2 | Confident | 76.8 | Confident | 22 Ų | 22 | 22 Ų | 22 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 172.9 | -167.8 | 179.8 | -177.4 | 174.5 | 5.6 | 111.2 | I64 E68 D71 D87 L164 A165 F166 V170 L171 C172 Y209 | I64-R168 HydrophobicContact CD1-CG 4.25Å; E68-R168 IonicContact OE1-NH1 3.43Å; E68-R168 PolarHBondContact OE1-NH1 3.44Å; D71-R168 IonicContact OD2-CZ 2.84Å; D71-R168 IonicContact OD2-NH1 3.54Å; D71-R168 IonicContact OD2-NH2 2.69Å; D71-R168 PolarHBondContact OD2-NH2 2.8Å; D87-R168 IonicContact OD1-NH2 3.93Å; D87-R168 PolarHBondContact OD1-NH2 2.98Å; D87-R168 IonicContact OD2-CZ 2.83Å; D87-R168 IonicContact OD2-NE 2.94Å; D87-R168 PolarHBondContact OD2-NE 3.32Å; D87-R168 IonicContact OD2-NH2 2.8Å; D87-R168 PolarHBondContact OD2-NH2 3.26Å; L164-R168 VanDerWaalsContact O-CB 3.25Å; L164-R168 WeakPolarHBondContact O-CB 3.42Å; L164-R168 PolarHBondContact O-N 2.78Å; A165-R168 PolarHBondContact O-N 3.42Å; F166-R168 VanDerWaalsContact C-N 3.32Å; F166-R168 PolarHBondContact O-N 2.83Å; R168-V170 VanDerWaalsContact C-N 3.33Å; R168-V170 PolarHBondContact O-N 3.4Å; R168-L171 PolarHBondContact O-N 2.96Å; R168-C172 VanDerWaalsContact O-CB 3.28Å; R168-C172 WeakPolarHBondContact O-CB 3.34Å; R168-C172 PolarHBondContact O-N 2.8Å; R168-Y209 HydrophobicContact CB-CE2 3.92Å; R168-Y209 HydrophobicContact CG-CE2 4.36Å |
| 169 | A | 77.2 | Confident | 76.9 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L57 I60 D61 A165 F166 F173 | L57-A169 HydrophobicContact CB-CB 4.44Å; L57-A169 HydrophobicContact CD2-CB 4.11Å; I60-A169 HydrophobicContact CG2-CB 4.16Å; D61-A169 HydrophobicContact CB-CB 4.35Å; A165-A169 VanDerWaalsContact O-CB 3.29Å; A165-A169 WeakPolarHBondContact O-CB 3.3Å; A165-A169 PolarHBondContact O-N 3.16Å; F166-A169 PolarHBondContact O-N 2.97Å; A169-F173 VanDerWaalsContact O-CB 3.23Å; A169-F173 WeakPolarHBondContact O-CB 3.19Å; A169-F173 PolarHBondContact O-N 3.42Å |
| 170 | V | 78.7 | Confident | 76.7 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66 | -47 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L57 L117 M120 F166 Y167 R168 C172 F173 V174 L205 | L57-V170 HydrophobicContact CD1-CG2 4.19Å; L57-V170 HydrophobicContact CD2-CG2 4.17Å; L117-V170 HydrophobicContact CD2-CG1 4.34Å; M120-V170 HydrophobicContact CE-CG2 3.63Å; F166-V170 HydrophobicContact CD1-CG2 4.37Å; F166-V170 HydrophobicContact CE1-CG2 4.16Å; F166-V170 HydrophobicContact CE2-CG2 4.37Å; F166-V170 HydrophobicContact CZ-CG2 4.2Å; F166-V170 VanDerWaalsContact O-CG2 3.26Å; F166-V170 WeakPolarHBondContact O-CG2 3.31Å; F166-V170 PolarHBondContact O-N 2.94Å; Y167-V170 PolarHBondContact O-N 3.46Å; R168-V170 VanDerWaalsContact C-N 3.33Å; R168-V170 PolarHBondContact O-N 3.4Å; V170-C172 VanDerWaalsContact C-N 3.35Å; V170-C172 PolarHBondContact O-N 3Å; V170-F173 WeakPolarHBondContact O-CB 3.38Å; V170-F173 PolarHBondContact O-N 3.38Å; V170-V174 VanDerWaalsContact O-CG2 3.28Å; V170-V174 WeakPolarHBondContact O-CG2 3.32Å; V170-V174 PolarHBondContact O-N 3.07Å; V170-L205 HydrophobicContact CG1-CD1 4.09Å; V170-L205 HydrophobicContact CG1-CD2 4.4Å |
| 171 | L | 80.3 | Confident | 76.5 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.6 | -73.8 | 169 | 0 | 0 | 0 | 111.5 | W81 A84 Y167 R168 V174 A175 L205 Y209 | W81-L171 HydrophobicContact CE3-CD2 4.19Å; W81-L171 HydrophobicContact CZ3-CD2 4.2Å; A84-L171 HydrophobicContact CB-CB 3.6Å; Y167-L171 WeakPolarHBondContact O-CB 3.45Å; Y167-L171 VanDerWaalsContact O-CG 3.24Å; Y167-L171 WeakPolarHBondContact O-CG 3.19Å; Y167-L171 PolarHBondContact O-N 3.17Å; R168-L171 PolarHBondContact O-N 2.96Å; L171-V174 PolarHBondContact O-N 3.19Å; L171-A175 WeakPolarHBondContact O-CB 3.38Å; L171-A175 PolarHBondContact O-N 2.9Å; L171-L205 HydrophobicContact CD2-CB 3.98Å; L171-L205 HydrophobicContact CG-CB 4.49Å; L171-Y209 HydrophobicContact CD1-CG 4.24Å |
| 172 | C | 83 | Confident | 76.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 175 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | I60 I64 D87 R168 V170 V174 A175 F176 | I60-C172 HydrophobicContact CG2-CB 3.91Å; I64-C172 HydrophobicContact CD1-CB 3.83Å; D87-C172 HydrophobicContact CB-CB 4.25Å; R168-C172 VanDerWaalsContact O-CB 3.28Å; R168-C172 WeakPolarHBondContact O-CB 3.34Å; R168-C172 PolarHBondContact O-N 2.8Å; V170-C172 VanDerWaalsContact C-N 3.35Å; V170-C172 PolarHBondContact O-N 3Å; C172-V174 VanDerWaalsContact C-N 3.32Å; C172-V174 PolarHBondContact O-N 3.11Å; C172-A175 PolarHBondContact O-N 3.3Å; C172-F176 VanDerWaalsContact O-CB 3.26Å; C172-F176 WeakPolarHBondContact O-CB 3.27Å; C172-F176 PolarHBondContact O-N 2.76Å |
| 173 | F | 82.6 | Confident | 76.4 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.5 | -47.5 | 174.5 | 175 | -85.4 | 0 | 0 | 0 | 111 | L57 I60 I106 F113 L117 A169 V170 F176 W177 | L57-F173 HydrophobicContact CD2-CB 4.13Å; I60-F173 HydrophobicContact CD1-CB 3.82Å; I60-F173 HydrophobicContact CD1-CD2 3.87Å; I60-F173 HydrophobicContact CD1-CG 4.36Å; I106-F173 HydrophobicContact CD1-CD2 3.96Å; I106-F173 HydrophobicContact CD1-CE2 3.67Å; I106-F173 HydrophobicContact CG1-CE2 3.81Å; I106-F173 HydrophobicContact CG2-CE2 4.27Å; I106-F173 HydrophobicContact CG2-CZ 4.3Å; F113-F173 HydrophobicContact CB-CZ 3.86Å; F113-F173 AromaticContact CD1-CE2 3.61Å; F113-F173 HydrophobicContact CD1-CE2 3.61Å; F113-F173 AromaticContact CD1-CZ 3.45Å; F113-F173 HydrophobicContact CD1-CZ 3.45Å; F113-F173 VanDerWaalsContact CD1-CZ 3.45Å; F113-F173 AromaticContact CE1-CE2 3.98Å; F113-F173 HydrophobicContact CE1-CE2 3.98Å; F113-F173 HydrophobicContact CE1-CZ 4.28Å; F113-F173 HydrophobicContact CG-CE2 4.33Å; F113-F173 AromaticContact CG-CZ 3.83Å; F113-F173 HydrophobicContact CG-CZ 3.83Å; L117-F173 HydrophobicContact CD1-CD1 3.57Å; L117-F173 HydrophobicContact CD1-CE1 3.29Å; L117-F173 HydrophobicContact CD1-CZ 4.41Å; A169-F173 VanDerWaalsContact O-CB 3.23Å; A169-F173 WeakPolarHBondContact O-CB 3.19Å; A169-F173 PolarHBondContact O-N 3.42Å; V170-F173 WeakPolarHBondContact O-CB 3.38Å; V170-F173 PolarHBondContact O-N 3.38Å; F173-F176 PolarHBondContact O-N 3.05Å; F173-W177 HydrophobicContact CE1-CD2 4.49Å; F173-W177 AromaticContact CE1-CE3 3.93Å; F173-W177 HydrophobicContact CE1-CE3 3.93Å; F173-W177 HydrophobicContact CE1-CZ3 4.49Å; F173-W177 WeakPolarHBondContact O-CB 2.92Å; F173-W177 PolarHBondContact O-N 2.65Å |
| 174 | V | 79.7 | Confident | 76.2 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.3 | -38.8 | -178.8 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | L117 V170 L171 C172 W177 K178 I198 M202 | L117-V174 HydrophobicContact CD1-CG2 4.07Å; L117-V174 HydrophobicContact CD2-CG2 3.68Å; V170-V174 VanDerWaalsContact O-CG2 3.28Å; V170-V174 WeakPolarHBondContact O-CG2 3.32Å; V170-V174 PolarHBondContact O-N 3.07Å; L171-V174 PolarHBondContact O-N 3.19Å; C172-V174 VanDerWaalsContact C-N 3.32Å; C172-V174 PolarHBondContact O-N 3.11Å; V174-W177 PolarHBondContact O-N 2.88Å; V174-K178 WeakPolarHBondContact O-CB 3.1Å; V174-K178 PolarHBondContact O-N 2.99Å; V174-I198 HydrophobicContact CG1-CD1 4.46Å; V174-I198 HydrophobicContact CG1-CG2 3.62Å; V174-M202 HydrophobicContact CB-CE 4.01Å; V174-M202 HydrophobicContact CG1-CE 3.09Å |
| 175 | A | 80.8 | Confident | 76 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W81 A84 A88 L171 C172 K178 N179 | W81-A175 HydrophobicContact CH2-CB 4.02Å; A84-A175 WeakPolarHBondContact O-CB 3.45Å; A88-A175 HydrophobicContact CB-CB 3.6Å; L171-A175 WeakPolarHBondContact O-CB 3.38Å; L171-A175 PolarHBondContact O-N 2.9Å; C172-A175 PolarHBondContact O-N 3.3Å; A175-K178 PolarHBondContact O-N 3.31Å; A175-N179 WeakPolarHBondContact O-CB 3.05Å; A175-N179 VanDerWaalsContact O-CG 3.3Å; A175-N179 PolarHBondContact O-N 3.48Å |
| 176 | F | 79.7 | Confident | 75.7 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 175 | -177 | -93.6 | 0 | 0 | 0 | 111.6 | A88 V91 A92 R103 I106 C172 F173 K178 N179 H180 | A88-F176 HydrophobicContact CB-CB 4.15Å; V91-F176 HydrophobicContact CG1-CD2 4.17Å; V91-F176 HydrophobicContact CG1-CE2 4.18Å; A92-F176 HydrophobicContact CB-CD2 4.39Å; A92-F176 HydrophobicContact CB-CE2 4.04Å; R103-F176 HydrophobicContact CG-CZ 4.41Å; I106-F176 HydrophobicContact CD1-CD1 3.81Å; I106-F176 HydrophobicContact CD1-CE1 3.82Å; C172-F176 VanDerWaalsContact O-CB 3.26Å; C172-F176 WeakPolarHBondContact O-CB 3.27Å; C172-F176 PolarHBondContact O-N 2.76Å; F173-F176 PolarHBondContact O-N 3.05Å; F176-K178 VanDerWaalsContact C-N 3.31Å; F176-K178 PolarHBondContact O-N 2.99Å; F176-N179 PolarHBondContact O-N 3.48Å; F176-H180 AromaticContact CD2-CD2 3.94Å; F176-H180 AromaticContact CE1-CD2 3.85Å; F176-H180 AromaticContact CE2-CD2 3.52Å; F176-H180 AromaticContact CE2-NE2 3.64Å; F176-H180 AromaticContact CZ-CD2 3.47Å; F176-H180 VanDerWaalsContact CZ-CD2 3.47Å; F176-H180 WeakPolarHBondContact CZ-CD2 3.36Å; F176-H180 AromaticContact CZ-NE2 3.91Å; F176-H180 PolarHBondContact O-N 3.42Å; F176-H180 VanDerWaalsContact O-N 3.11Å |
| 177 | W | 78.9 | Confident | 75.4 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 176.1 | -162.5 | 16.4 | 0 | 0 | 0 | 111.7 | E110 F114 L117 F173 V174 L186 W191 I198 | E110-W177 HydrophobicContact CB-CZ2 4.43Å; F114-W177 HydrophobicContact CB-CH2 3.85Å; F114-W177 HydrophobicContact CD2-CH2 4.07Å; F114-W177 HydrophobicContact CD2-CZ3 4.42Å; F114-W177 HydrophobicContact CG-CH2 4.41Å; L117-W177 HydrophobicContact CD1-CE3 4.39Å; L117-W177 HydrophobicContact CD1-CZ3 4.16Å; F173-W177 HydrophobicContact CE1-CD2 4.49Å; F173-W177 AromaticContact CE1-CE3 3.93Å; F173-W177 HydrophobicContact CE1-CE3 3.93Å; F173-W177 HydrophobicContact CE1-CZ3 4.49Å; F173-W177 WeakPolarHBondContact O-CB 2.92Å; F173-W177 PolarHBondContact O-N 2.65Å; V174-W177 PolarHBondContact O-N 2.88Å; W177-L186 HydrophobicContact CZ2-CD1 3.9Å; W177-W191 AromaticContact CD1-CH2 3.8Å; W177-W191 HydrophobicContact CD2-CH2 4.11Å; W177-W191 AromaticContact CG-CH2 3.99Å; W177-W191 HydrophobicContact CG-CH2 3.99Å; W177-W191 AromaticContact NE1-CH2 3.81Å; W177-W191 AromaticContact NE1-CZ2 3.75Å; W177-I198 HydrophobicContact CE3-CD1 4.48Å; W177-I198 HydrophobicContact CZ3-CD1 4.16Å |
| 178 | K | 76.7 | Confident | 75 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 37% | 0.365 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.9 | -142 | 172 | -171.7 | 162 | 0 | 112.5 | W81 V174 A175 F176 D195 | W81-K178 HydrophobicContact CZ2-CD 4.47Å; V174-K178 WeakPolarHBondContact O-CB 3.1Å; V174-K178 PolarHBondContact O-N 2.99Å; A175-K178 PolarHBondContact O-N 3.31Å; F176-K178 VanDerWaalsContact C-N 3.31Å; F176-K178 PolarHBondContact O-N 2.99Å; K178-D195 VanDerWaalsContact CE-OD1 3.27Å; K178-D195 WeakPolarHBondContact CE-OD1 3.17Å; K178-D195 IonicContact NZ-OD1 3.48Å; K178-D195 PolarHBondContact NZ-OD1 2.83Å |
| 179 | N | 75.9 | Confident | 74.5 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.2 | -28 | 179.4 | -77.3 | -15.2 | 0 | 0 | 0 | 113.7 | A175 F176 | A175-N179 WeakPolarHBondContact O-CB 3.05Å; A175-N179 VanDerWaalsContact O-CG 3.3Å; A175-N179 PolarHBondContact O-N 3.48Å; F176-N179 PolarHBondContact O-N 3.48Å |
| 180 | H | 71.7 | Confident | 73.9 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 12% | 0.12 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 28.2 | -180 | -72.8 | -44.7 | 0 | 0 | 0 | 114.2 | R103 F107 F176 S182 I183 | R103-H180 PolarHBondContact NH2-CE1 3.47Å; R103-H180 PolarHBondContact NH2-ND1 3.13Å; F107-H180 HydrophobicContact CE2-CB 3.99Å; F107-H180 HydrophobicContact CZ-CB 3.49Å; F107-H180 VanDerWaalsContact CZ-CB 3.49Å; F176-H180 AromaticContact CD2-CD2 3.94Å; F176-H180 AromaticContact CE1-CD2 3.85Å; F176-H180 AromaticContact CE2-CD2 3.52Å; F176-H180 AromaticContact CE2-NE2 3.64Å; F176-H180 AromaticContact CZ-CD2 3.47Å; F176-H180 VanDerWaalsContact CZ-CD2 3.47Å; F176-H180 WeakPolarHBondContact CZ-CD2 3.36Å; F176-H180 AromaticContact CZ-NE2 3.91Å; F176-H180 PolarHBondContact O-N 3.42Å; F176-H180 VanDerWaalsContact O-N 3.11Å; H180-S182 PolarHBondContact O-N 3.04Å; H180-I183 HydrophobicContact CB-CD1 4.28Å; H180-I183 PolarHBondContact O-N 2.8Å |
| 181 | R | 69.5 | Low | 73.5 | Confident | 140 Ų | 140 | 54.5 Ų | 54.5 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -49.8 | -28.6 | 175.5 | -173 | 178.4 | 179.2 | -176.5 | 1.8 | 114.4 | I183 S184 W191 | R181-I183 PolarHBondContact O-N 3.4Å; R181-S184 PolarHBondContact O-OG 3.04Å; R181-W191 HydrophobicContact CG-CZ2 4.36Å |
| 182 | S | 68.9 | Low | 72.9 | Confident | 114 Ų | 114 | 58.1 Ų | 58.1 | 80% | 0.797 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -68.6 | -14.7 | 178.5 | 60.7 | 0 | 0 | 0 | 0 | 114.7 | H180 | H180-S182 PolarHBondContact O-N 3.04Š|
| 183 | I | 71.7 | Confident | 72.1 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 32% | 0.323 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -102.3 | -13.8 | -175.7 | -54.1 | 175.3 | 0 | 0 | 0 | 111.3 | F107 H180 R181 | F107-I183 HydrophobicContact CD1-CB 4.22Å; F107-I183 HydrophobicContact CD1-CG2 3.99Å; F107-I183 HydrophobicContact CD2-CB 4.41Å; F107-I183 HydrophobicContact CD2-CG2 3.84Å; F107-I183 HydrophobicContact CE1-CB 3.95Å; F107-I183 HydrophobicContact CE1-CG2 4.21Å; F107-I183 HydrophobicContact CE2-CB 4.18Å; F107-I183 HydrophobicContact CE2-CG2 4.09Å; F107-I183 HydrophobicContact CG-CB 4.49Å; F107-I183 HydrophobicContact CG-CG2 3.85Å; F107-I183 HydrophobicContact CZ-CB 3.97Å; F107-I183 HydrophobicContact CZ-CG2 4.29Å; H180-I183 HydrophobicContact CB-CD1 4.28Å; H180-I183 PolarHBondContact O-N 2.8Å; R181-I183 PolarHBondContact O-N 3.4Å |
| 184 | S | 68.3 | Low | 71.3 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | trans | -68.9 | 144.3 | -176.4 | 78.1 | 0 | 0 | 0 | 0 | 113.3 | E110 R181 W191 | E110-S184 WeakPolarHBondContact OE1-CA 3.34Å; E110-S184 WeakPolarHBondContact OE1-CB 3.06Å; R181-S184 PolarHBondContact O-OG 3.04Å; S184-W191 PolarHBondContact OG-NE1 2.85Å | ||
| 185 | H | 70.3 | Confident | 70.8 | Confident | 162 Ų | 162 | 68 Ų | 68 | 75% | 0.75 | 36% | 0.358 | S | S | * | . | trans | -89 | -3.7 | 174.2 | -63.5 | -58.5 | 0 | 0 | 0 | 113.1 | E110 | E110-H185 PolarHBondContact OE2-N 2.87Š| ||
| 186 | L | 66.8 | Low | 70.2 | Confident | 22 Ų | 22 | 77.5 Ų | 77.5 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -71.5 | 135.3 | 178.8 | -74.8 | 160.2 | 0 | 0 | 0 | 113.3 | E110 N111 W177 A190 I194 | E110-L186 HydrophobicContact CB-CD1 3.92Å; E110-L186 HydrophobicContact CB-CG 4.34Å; E110-L186 PolarHBondContact OE2-N 3.05Å; N111-L186 WeakPolarHBondContact OD1-CD2 3.44Å; W177-L186 HydrophobicContact CZ2-CD1 3.9Å; L186-A190 HydrophobicContact CD2-CB 4.2Å; L186-I194 HydrophobicContact CD1-CD1 3.86Å; L186-I194 HydrophobicContact CD2-CD1 4.39Å |
| 187 | P | 69.1 | Low | 69.7 | Low | 85 Ų | 85 | 80.8 Ų | 80.8 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | trans | -65.7 | 152.5 | 175 | 24.2 | -30.1 | 0 | 0 | 0 | 112.2 | E189 A190 W191 | P187-E189 PolarHBondContact O-N 3.12Å; P187-A190 HydrophobicContact CG-CB 3.91Å; P187-A190 WeakPolarHBondContact O-CB 3.39Å; P187-A190 PolarHBondContact O-N 2.87Å; P187-W191 PolarHBondContact O-N 3.41Å; P187-W191 VanDerWaalsContact O-N 3.13Å | ||
| 188 | T | 68.8 | Low | 69.1 | Low | 108 Ų | 108 | 81 Ų | 81 | 66% | 0.663 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -57.6 | -33 | -177.4 | 41 | 0 | 0 | 0 | 0 | 113.8 | W191 S192 | T188-W191 PolarHBondContact O-N 2.89Å; T188-S192 PolarHBondContact O-N 3.09Å; T188-S192 VanDerWaalsContact O-N 3.12Å |
| 189 | E | 66.7 | Low | 68.6 | Low | 162 Ų | 162 | 80.1 Ų | 80.1 | 76% | 0.757 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | 173.4 | -70.4 | -177.9 | 172.8 | 0 | 0 | 112.2 | P187 S192 K193 | P187-E189 PolarHBondContact O-N 3.12Å; E189-S192 PolarHBondContact O-N 3.08Å; E189-S192 PolarHBondContact O-OG 2.8Å; E189-K193 PolarHBondContact O-N 2.99Å |
| 190 | A | 63.4 | Low | 68.2 | Low | 29 Ų | 29 | 82.8 Ų | 82.8 | 24% | 0.24 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L186 P187 S192 K193 I194 | L186-A190 HydrophobicContact CD2-CB 4.2Å; P187-A190 HydrophobicContact CG-CB 3.91Å; P187-A190 WeakPolarHBondContact O-CB 3.39Å; P187-A190 PolarHBondContact O-N 2.87Å; A190-S192 VanDerWaalsContact C-N 3.28Å; A190-S192 PolarHBondContact O-N 3.4Å; A190-K193 PolarHBondContact O-N 2.82Å; A190-K193 VanDerWaalsContact O-N 3.11Å; A190-I194 HydrophobicContact CB-CD1 4.33Å; A190-I194 WeakPolarHBondContact O-CB 3.26Å; A190-I194 WeakPolarHBondContact O-CD1 3.39Å; A190-I194 WeakPolarHBondContact O-CG1 3.24Å; A190-I194 PolarHBondContact O-N 2.72Å |
| 191 | W | 70.2 | Confident | 67.9 | Low | 17 Ų | 17 | 82.8 Ų | 82.8 | 6% | 0.064 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -57.8 | -36.1 | 174.5 | -93.1 | 107.3 | 0 | 0 | 0 | 113.9 | W177 R181 S184 P187 T188 K193 I194 D195 | W177-W191 AromaticContact CD1-CH2 3.8Å; W177-W191 HydrophobicContact CD2-CH2 4.11Å; W177-W191 AromaticContact CG-CH2 3.99Å; W177-W191 HydrophobicContact CG-CH2 3.99Å; W177-W191 AromaticContact NE1-CH2 3.81Å; W177-W191 AromaticContact NE1-CZ2 3.75Å; R181-W191 HydrophobicContact CG-CZ2 4.36Å; S184-W191 PolarHBondContact OG-NE1 2.85Å; P187-W191 PolarHBondContact O-N 3.41Å; P187-W191 VanDerWaalsContact O-N 3.13Å; T188-W191 PolarHBondContact O-N 2.89Å; W191-K193 VanDerWaalsContact C-N 3.34Å; W191-I194 HydrophobicContact CE3-CG2 4.3Å; W191-I194 HydrophobicContact CZ3-CG2 4.39Å; W191-D195 VanDerWaalsContact O-CB 3.23Å; W191-D195 WeakPolarHBondContact O-CB 3.16Å; W191-D195 PolarHBondContact O-N 2.94Å |
| 192 | S | 68.1 | Low | 67.9 | Low | 79 Ų | 79 | 76.8 Ų | 76.8 | 55% | 0.552 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.4 | -33.8 | 177.5 | 74.4 | 0 | 0 | 0 | 0 | 113 | T188 E189 A190 R196 | T188-S192 PolarHBondContact O-N 3.09Å; T188-S192 VanDerWaalsContact O-N 3.12Å; E189-S192 PolarHBondContact O-N 3.08Å; E189-S192 PolarHBondContact O-OG 2.8Å; A190-S192 VanDerWaalsContact C-N 3.28Å; A190-S192 PolarHBondContact O-N 3.4Å; S192-R196 PolarHBondContact O-N 2.79Å |
| 193 | K | 67.1 | Low | 68 | Low | 142 Ų | 142 | 75 Ų | 75 | 62% | 0.617 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -74 | -43.8 | 176.1 | -160.9 | 178.3 | -178.1 | -172.5 | 0 | 110.7 | E189 A190 W191 R196 E197 | E189-K193 PolarHBondContact O-N 2.99Å; A190-K193 PolarHBondContact O-N 2.82Å; A190-K193 VanDerWaalsContact O-N 3.11Å; W191-K193 VanDerWaalsContact C-N 3.34Å; K193-R196 PolarHBondContact O-N 2.9Å; K193-E197 PolarHBondContact O-N 3.16Å |
| 194 | I | 65 | Low | 67.8 | Low | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.036 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60 | -49.1 | 175.4 | -67.6 | 168.2 | 0 | 0 | 0 | 110.7 | F114 L186 A190 W191 R196 E197 I198 | F114-I194 HydrophobicContact CD2-CB 4.39Å; F114-I194 HydrophobicContact CD2-CD1 4.27Å; F114-I194 HydrophobicContact CD2-CG1 3.78Å; F114-I194 HydrophobicContact CD2-CG2 3.97Å; F114-I194 HydrophobicContact CE1-CG1 4.4Å; F114-I194 HydrophobicContact CE2-CB 3.95Å; F114-I194 HydrophobicContact CE2-CD1 4.47Å; F114-I194 HydrophobicContact CE2-CG1 3.5Å; F114-I194 HydrophobicContact CE2-CG2 3.83Å; F114-I194 HydrophobicContact CG-CG1 4.36Å; F114-I194 HydrophobicContact CZ-CG1 3.83Å; L186-I194 HydrophobicContact CD1-CD1 3.86Å; L186-I194 HydrophobicContact CD2-CD1 4.39Å; A190-I194 HydrophobicContact CB-CD1 4.33Å; A190-I194 WeakPolarHBondContact O-CB 3.26Å; A190-I194 WeakPolarHBondContact O-CD1 3.39Å; A190-I194 WeakPolarHBondContact O-CG1 3.24Å; A190-I194 PolarHBondContact O-N 2.72Å; W191-I194 HydrophobicContact CE3-CG2 4.3Å; W191-I194 HydrophobicContact CZ3-CG2 4.39Å; I194-R196 VanDerWaalsContact C-N 3.31Å; I194-R196 PolarHBondContact O-N 2.82Å; I194-E197 PolarHBondContact O-N 3.32Å; I194-I198 HydrophobicContact CG2-CD1 3.36Å; I194-I198 HydrophobicContact CG2-CG1 4.16Å; I194-I198 WeakPolarHBondContact O-CB 3.36Å; I194-I198 WeakPolarHBondContact O-CG1 3.44Å; I194-I198 PolarHBondContact O-N 3.44Å |
| 195 | D | 69.2 | Low | 67.9 | Low | 65 Ų | 65 | 74.9 Ų | 74.9 | 35% | 0.348 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | -178.4 | -166 | 46.8 | 0 | 0 | 0 | 111.8 | K178 W191 T199 | K178-D195 VanDerWaalsContact CE-OD1 3.27Å; K178-D195 WeakPolarHBondContact CE-OD1 3.17Å; K178-D195 IonicContact NZ-OD1 3.48Å; K178-D195 PolarHBondContact NZ-OD1 2.83Å; W191-D195 VanDerWaalsContact O-CB 3.23Å; W191-D195 WeakPolarHBondContact O-CB 3.16Å; W191-D195 PolarHBondContact O-N 2.94Å; D195-T199 VanDerWaalsContact O-CB 3.28Å; D195-T199 WeakPolarHBondContact O-CB 3.2Å; D195-T199 PolarHBondContact O-N 3.42Å; D195-T199 PolarHBondContact O-OG1 3.35Å |
| 196 | R | 69.1 | Low | 68 | Low | 201 Ų | 201 | 68 Ų | 68 | 76% | 0.758 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.6 | -42.7 | 178.4 | -154.3 | 178.1 | 176.9 | -177.9 | -1.7 | 112.7 | S192 K193 I194 | S192-R196 PolarHBondContact O-N 2.79Å; K193-R196 PolarHBondContact O-N 2.9Å; I194-R196 VanDerWaalsContact C-N 3.31Å; I194-R196 PolarHBondContact O-N 2.82Å |
| 197 | E | 68.2 | Low | 68.1 | Low | 76 Ų | 76 | 71.4 Ų | 71.4 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.5 | -37.7 | 176.3 | -72.8 | 177.3 | -167.6 | 0 | 0 | 111.9 | F114 K193 I194 S201 | F114-E197 WeakPolarHBondContact CZ-OE2 3.44Å; K193-E197 PolarHBondContact O-N 3.16Å; I194-E197 PolarHBondContact O-N 3.32Å; E197-S201 WeakPolarHBondContact O-CB 3.2Å; E197-S201 PolarHBondContact O-OG 3.17Å |
| 198 | I | 65.7 | Low | 68.1 | Low | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | 177.5 | -71.7 | -179.5 | 0 | 0 | 0 | 111.8 | M121 V174 W177 I194 S201 M202 | M121-I198 HydrophobicContact CE-CG1 4.19Å; V174-I198 HydrophobicContact CG1-CD1 4.46Å; V174-I198 HydrophobicContact CG1-CG2 3.62Å; W177-I198 HydrophobicContact CE3-CD1 4.48Å; W177-I198 HydrophobicContact CZ3-CD1 4.16Å; I194-I198 HydrophobicContact CG2-CD1 3.36Å; I194-I198 HydrophobicContact CG2-CG1 4.16Å; I194-I198 WeakPolarHBondContact O-CB 3.36Å; I194-I198 WeakPolarHBondContact O-CG1 3.44Å; I194-I198 PolarHBondContact O-N 3.44Å; I198-S201 PolarHBondContact O-N 2.91Å; I198-M202 HydrophobicContact CG2-CE 3.54Å; I198-M202 HydrophobicContact CG2-CG 3.96Å; I198-M202 HydrophobicContact CG2-SD 4.14Å; I198-M202 WeakPolarHBondContact O-CB 3.44Å; I198-M202 VanDerWaalsContact O-CG 3.32Å; I198-M202 WeakPolarHBondContact O-CG 3.21Å; I198-M202 PolarHBondContact O-N 3.47Å |
| 199 | T | 67.7 | Low | 68.3 | Low | 66 Ų | 66 | 63 Ų | 63 | 41% | 0.405 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | -175.3 | -55.6 | 0 | 0 | 0 | 0 | 112.9 | D195 S201 M202 T203 | D195-T199 VanDerWaalsContact O-CB 3.28Å; D195-T199 WeakPolarHBondContact O-CB 3.2Å; D195-T199 PolarHBondContact O-N 3.42Å; D195-T199 PolarHBondContact O-OG1 3.35Å; T199-S201 VanDerWaalsContact C-N 3.28Å; T199-S201 PolarHBondContact O-N 3Å; T199-M202 PolarHBondContact O-N 3.1Å; T199-T203 PolarHBondContact O-N 3.07Å; T199-T203 PolarHBondContact O-OG1 2.91Å |
| 200 | Q | 67 | Low | 68.5 | Low | 147 Ų | 147 | 55.2 Ų | 55.2 | 69% | 0.687 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 175.2 | -73.9 | -176.1 | -25.6 | 0 | 0 | 111.9 | T203 | Q200-T203 PolarHBondContact O-OG1 3.42Å |
| 201 | S | 65.5 | Low | 68.7 | Low | 26 Ų | 26 | 54.5 Ų | 54.5 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -78.5 | -31 | -178.6 | -50.5 | 0 | 0 | 0 | 0 | 112.4 | M121 E197 I198 T199 M204 L205 | M121-S201 VanDerWaalsContact CE-CB 3.4Å; M121-S201 WeakPolarHBondContact CE-OG 3.47Å; M121-S201 WeakPolarHBondContact SD-CB 3.46Å; E197-S201 WeakPolarHBondContact O-CB 3.2Å; E197-S201 PolarHBondContact O-OG 3.17Å; I198-S201 PolarHBondContact O-N 2.91Å; T199-S201 VanDerWaalsContact C-N 3.28Å; T199-S201 PolarHBondContact O-N 3Å; S201-M204 PolarHBondContact O-N 2.77Å; S201-L205 WeakPolarHBondContact O-CG 3.39Å; S201-L205 PolarHBondContact O-N 3.27Å |
| 202 | M | 70.4 | Confident | 68.8 | Low | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 170.8 | -88.6 | -176.1 | -179 | 0 | 0 | 111.9 | W81 V174 I198 T199 M204 L205 C206 | W81-M202 HydrophobicContact CD2-SD 4.35Å; W81-M202 HydrophobicContact CE3-CE 4.22Å; W81-M202 HydrophobicContact CE3-CG 4.43Å; W81-M202 HydrophobicContact CE3-SD 3.86Å; W81-M202 HydrophobicContact CH2-CE 2.92Å; W81-M202 HydrophobicContact CH2-SD 3.56Å; W81-M202 VanDerWaalsContact CH2-SD 3.56Å; W81-M202 HydrophobicContact CZ2-CE 3.66Å; W81-M202 HydrophobicContact CZ2-SD 3.96Å; W81-M202 HydrophobicContact CZ3-CE 3.23Å; W81-M202 HydrophobicContact CZ3-CG 4.05Å; W81-M202 HydrophobicContact CZ3-SD 3.45Å; W81-M202 WeakPolarHBondContact CZ3-SD 3.24Å; V174-M202 HydrophobicContact CB-CE 4.01Å; V174-M202 HydrophobicContact CG1-CE 3.09Å; I198-M202 HydrophobicContact CG2-CE 3.54Å; I198-M202 HydrophobicContact CG2-CG 3.96Å; I198-M202 HydrophobicContact CG2-SD 4.14Å; I198-M202 WeakPolarHBondContact O-CB 3.44Å; I198-M202 VanDerWaalsContact O-CG 3.32Å; I198-M202 WeakPolarHBondContact O-CG 3.21Å; I198-M202 PolarHBondContact O-N 3.47Å; T199-M202 PolarHBondContact O-N 3.1Å; M202-M204 PolarHBondContact O-N 2.89Å; M202-L205 PolarHBondContact O-N 2.83Å; M202-C206 WeakPolarHBondContact O-CB 3.34Å; M202-C206 PolarHBondContact O-N 3.12Å; M202-C206 PolarHBondContact O-SG 3.07Å; M202-C206 VanDerWaalsContact O-SG 3.37Å |
| 203 | T | 69.4 | Low | 69 | Low | 77 Ų | 77 | 50.4 Ų | 50.4 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59 | -37.6 | 177 | 25.2 | 0 | 0 | 0 | 0 | 111.9 | T199 Q200 R207 | T199-T203 PolarHBondContact O-N 3.07Å; T199-T203 PolarHBondContact O-OG1 2.91Å; Q200-T203 PolarHBondContact O-OG1 3.42Å; T203-R207 WeakPolarHBondContact O-CD 3.22Å; T203-R207 WeakPolarHBondContact O-CG 3.27Å; T203-R207 PolarHBondContact O-N 3.42Å |
| 204 | M | 68.5 | Low | 69.2 | Low | 63 Ų | 63 | 44.5 Ų | 44.5 | 31% | 0.31 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70 | -45.8 | 174.5 | -67.4 | -59 | -72.2 | 0 | 0 | 111.8 | S201 M202 C206 R207 C208 | S201-M204 PolarHBondContact O-N 2.77Å; M202-M204 PolarHBondContact O-N 2.89Å; M204-C206 VanDerWaalsContact C-N 3.35Å; M204-C206 PolarHBondContact O-N 2.88Å; M204-R207 WeakPolarHBondContact O-CB 3.2Å; M204-R207 PolarHBondContact O-N 3.41Å; M204-R207 VanDerWaalsContact O-N 3.14Å; M204-C208 PolarHBondContact O-N 2.95Å; M204-C208 PolarHBondContact O-SG 3.07Å |
| 205 | L | 69.4 | Low | 69.4 | Low | 19 Ų | 19 | 44.6 Ų | 44.6 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 177.1 | -76.1 | 162.2 | 0 | 0 | 0 | 112.8 | M121 Y167 V170 L171 S201 M202 C208 Y209 | M121-L205 HydrophobicContact CG-CD1 4.39Å; M121-L205 HydrophobicContact SD-CD1 4.06Å; Y167-L205 HydrophobicContact CD1-CD2 3.42Å; Y167-L205 VanDerWaalsContact CD1-CD2 3.42Å; Y167-L205 HydrophobicContact CE1-CD2 3.69Å; V170-L205 HydrophobicContact CG1-CD1 4.09Å; V170-L205 HydrophobicContact CG1-CD2 4.4Å; L171-L205 HydrophobicContact CD2-CB 3.98Å; L171-L205 HydrophobicContact CG-CB 4.49Å; S201-L205 WeakPolarHBondContact O-CG 3.39Å; S201-L205 PolarHBondContact O-N 3.27Å; M202-L205 PolarHBondContact O-N 2.83Å; L205-C208 PolarHBondContact O-N 3.18Å; L205-Y209 WeakPolarHBondContact O-CB 2.83Å; L205-Y209 PolarHBondContact O-N 3.49Å |
| 206 | C | 72.4 | Confident | 69.4 | Low | 18 Ų | 18 | 44 Ų | 44 | 12% | 0.122 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 174.5 | -74.5 | 0 | 0 | 0 | 0 | 112.3 | P80 M202 M204 Y209 A210 | P80-C206 HydrophobicContact CB-CB 4.47Å; P80-C206 HydrophobicContact CG-CB 3.71Å; M202-C206 WeakPolarHBondContact O-CB 3.34Å; M202-C206 PolarHBondContact O-N 3.12Å; M202-C206 PolarHBondContact O-SG 3.07Å; M202-C206 VanDerWaalsContact O-SG 3.37Å; M204-C206 VanDerWaalsContact C-N 3.35Å; M204-C206 PolarHBondContact O-N 2.88Å; C206-Y209 PolarHBondContact O-N 3.37Å; C206-A210 WeakPolarHBondContact O-CB 3.46Å; C206-A210 PolarHBondContact O-N 2.78Å |
| 207 | R | 69.1 | Low | 69.2 | Low | 92 Ų | 92 | 38.7 Ų | 38.7 | 35% | 0.347 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 174.4 | -71.8 | 165.9 | -178.2 | -170.1 | -1 | 111.5 | T203 M204 Y209 A210 V211 E289 | T203-R207 WeakPolarHBondContact O-CD 3.22Å; T203-R207 WeakPolarHBondContact O-CG 3.27Å; T203-R207 PolarHBondContact O-N 3.42Å; M204-R207 WeakPolarHBondContact O-CB 3.2Å; M204-R207 PolarHBondContact O-N 3.41Å; M204-R207 VanDerWaalsContact O-N 3.14Å; R207-Y209 VanDerWaalsContact C-N 3.31Å; R207-Y209 PolarHBondContact O-N 3.27Å; R207-A210 PolarHBondContact O-N 3.15Å; R207-V211 WeakPolarHBondContact O-CG2 3.39Å; R207-V211 PolarHBondContact O-N 2.73Å; R207-V211 VanDerWaalsContact O-N 3.14Å; R207-E289 IonicContact NH1-OE1 2.98Å |
| 208 | C | 69.8 | Low | 69 | Low | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.1 | -46.5 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | P125 Y167 M204 L205 L212 W287 | P125-C208 WeakPolarHBondContact CG-SG 3.14Å; Y167-C208 HydrophobicContact CD2-CB 4.26Å; Y167-C208 HydrophobicContact CE2-CB 4.02Å; M204-C208 PolarHBondContact O-N 2.95Å; M204-C208 PolarHBondContact O-SG 3.07Å; L205-C208 PolarHBondContact O-N 3.18Å; C208-L212 WeakPolarHBondContact O-CB 3.2Å; C208-L212 WeakPolarHBondContact O-CD1 3.08Å; C208-L212 VanDerWaalsContact O-CG 3.26Å; C208-L212 WeakPolarHBondContact O-CG 3.32Å; C208-L212 PolarHBondContact O-N 2.83Å; C208-W287 HydrophobicContact CB-CH2 3.8Å; C208-W287 HydrophobicContact CB-CZ2 4.22Å; C208-W287 VanDerWaalsContact SG-CH2 3.52Å; C208-W287 WeakPolarHBondContact SG-CZ2 3.3Å |
| 209 | Y | 72.8 | Confident | 68.6 | Low | 13 Ų | 13 | 40.6 Ų | 40.6 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -44.8 | -179.1 | 180 | -95.4 | 0 | 0 | 0 | 112.3 | V76 P80 L83 L164 R168 L171 L205 C206 R207 V211 L212 S213 | V76-Y209 HydrophobicContact CG1-CE1 3.7Å; P80-Y209 HydrophobicContact CB-CD1 3.55Å; P80-Y209 HydrophobicContact CB-CE1 4.05Å; L83-Y209 HydrophobicContact CD2-CE1 4.06Å; L83-Y209 WeakPolarHBondContact CD2-OH 3.03Å; L164-Y209 HydrophobicContact CD2-CD2 3.7Å; L164-Y209 HydrophobicContact CD2-CE2 3.7Å; L164-Y209 HydrophobicContact CD2-CG 4.44Å; R168-Y209 HydrophobicContact CB-CE2 3.92Å; R168-Y209 HydrophobicContact CG-CE2 4.36Å; L171-Y209 HydrophobicContact CD1-CG 4.24Å; L205-Y209 WeakPolarHBondContact O-CB 2.83Å; L205-Y209 PolarHBondContact O-N 3.49Å; C206-Y209 PolarHBondContact O-N 3.37Å; R207-Y209 VanDerWaalsContact C-N 3.31Å; R207-Y209 PolarHBondContact O-N 3.27Å; Y209-V211 PolarHBondContact O-N 3.28Å; Y209-L212 PolarHBondContact O-N 2.77Å; Y209-S213 VanDerWaalsContact O-CB 3.22Å; Y209-S213 WeakPolarHBondContact O-CB 3.22Å; Y209-S213 PolarHBondContact O-N 3.29Å |
| 210 | A | 69.9 | Low | 68.1 | Low | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C206 R207 S213 W214 W318 | C206-A210 WeakPolarHBondContact O-CB 3.46Å; C206-A210 PolarHBondContact O-N 2.78Å; R207-A210 PolarHBondContact O-N 3.15Å; A210-S213 PolarHBondContact O-N 3.47Å; A210-W214 PolarHBondContact O-N 2.51Å; A210-W318 HydrophobicContact CB-CH2 4.01Å; A210-W318 HydrophobicContact CB-CZ3 3.69Å |
| 211 | V | 69.4 | Low | 67.7 | Low | 14 Ų | 14 | 36.7 Ų | 36.7 | 9% | 0.085 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -47.1 | 178 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | R207 Y209 S213 W214 V215 P288 | R207-V211 WeakPolarHBondContact O-CG2 3.39Å; R207-V211 PolarHBondContact O-N 2.73Å; R207-V211 VanDerWaalsContact O-N 3.14Å; Y209-V211 PolarHBondContact O-N 3.28Å; V211-S213 VanDerWaalsContact C-N 3.27Å; V211-S213 PolarHBondContact O-N 3.04Å; V211-W214 WeakPolarHBondContact O-CB 3.39Å; V211-W214 PolarHBondContact O-N 3.19Å; V211-V215 WeakPolarHBondContact O-CG2 3.44Å; V211-V215 PolarHBondContact O-N 3.29Å; V211-P288 HydrophobicContact CG1-CG 4.44Å; V211-P288 HydrophobicContact CG2-CG 3.57Å |
| 212 | L | 70.9 | Confident | 67 | Low | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -33.3 | 178.6 | -71.1 | 169.3 | 0 | 0 | 0 | 111.7 | V160 K163 L164 Y167 C208 Y209 V215 S216 | V160-L212 HydrophobicContact CB-CD2 4.48Å; V160-L212 HydrophobicContact CG1-CB 4.25Å; V160-L212 HydrophobicContact CG1-CD2 4.23Å; V160-L212 VanDerWaalsContact CG1-O 3.25Å; V160-L212 WeakPolarHBondContact CG1-O 3.28Å; V160-L212 HydrophobicContact CG2-CD2 3.96Å; K163-L212 HydrophobicContact CB-CD1 3.97Å; L164-L212 HydrophobicContact CD2-CB 3.9Å; L164-L212 HydrophobicContact CG-CB 3.92Å; Y167-L212 HydrophobicContact CD2-CD1 3.58Å; Y167-L212 HydrophobicContact CE2-CD1 3.39Å; C208-L212 WeakPolarHBondContact O-CB 3.2Å; C208-L212 WeakPolarHBondContact O-CD1 3.08Å; C208-L212 VanDerWaalsContact O-CG 3.26Å; C208-L212 WeakPolarHBondContact O-CG 3.32Å; C208-L212 PolarHBondContact O-N 2.83Å; Y209-L212 PolarHBondContact O-N 2.77Å; L212-V215 PolarHBondContact O-N 3.31Å; L212-S216 PolarHBondContact O-N 3.44Å |
| 213 | S | 72 | Confident | 66.1 | Low | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72 | -32.8 | 176.7 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | V76 Y209 A210 V211 S216 K217 | V76-S213 WeakPolarHBondContact CG1-OG 3.34Å; Y209-S213 VanDerWaalsContact O-CB 3.22Å; Y209-S213 WeakPolarHBondContact O-CB 3.22Å; Y209-S213 PolarHBondContact O-N 3.29Å; A210-S213 PolarHBondContact O-N 3.47Å; V211-S213 VanDerWaalsContact C-N 3.27Å; V211-S213 PolarHBondContact O-N 3.04Å; S213-S216 PolarHBondContact O-OG 3.15Å; S213-S216 VanDerWaalsContact O-OG 3.06Å; S213-K217 WeakPolarHBondContact O-CB 3.29Å; S213-K217 WeakPolarHBondContact O-CG 3.32Å; S213-K217 PolarHBondContact O-N 2.83Å |
| 214 | W | 72.7 | Confident | 65 | Low | 18 Ų | 18 | 47.3 Ų | 47.3 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -47.7 | 169.5 | 173.9 | 75.5 | 0 | 0 | 0 | 110.2 | A210 V211 S216 K217 L218 V295 L311 I314 | A210-W214 PolarHBondContact O-N 2.51Å; V211-W214 WeakPolarHBondContact O-CB 3.39Å; V211-W214 PolarHBondContact O-N 3.19Å; W214-S216 VanDerWaalsContact C-N 3.29Å; W214-S216 PolarHBondContact O-N 2.93Å; W214-K217 PolarHBondContact O-N 3.46Å; W214-K217 VanDerWaalsContact O-N 3.11Å; W214-L218 HydrophobicContact CD2-CD1 4.02Å; W214-L218 HydrophobicContact CD2-CG 4.29Å; W214-L218 HydrophobicContact CE3-CD1 3.92Å; W214-L218 HydrophobicContact CH2-CD1 3.53Å; W214-L218 HydrophobicContact CH2-CD2 4.19Å; W214-L218 HydrophobicContact CH2-CG 4.36Å; W214-L218 HydrophobicContact CZ2-CD1 3.65Å; W214-L218 HydrophobicContact CZ2-CD2 3.48Å; W214-L218 VanDerWaalsContact CZ2-CD2 3.48Å; W214-L218 HydrophobicContact CZ2-CG 3.97Å; W214-L218 HydrophobicContact CZ3-CD1 3.68Å; W214-L218 WeakPolarHBondContact O-CG 3.3Å; W214-L218 PolarHBondContact O-N 3.44Å; W214-V295 HydrophobicContact CH2-CG1 4.21Å; W214-L311 HydrophobicContact CD2-CD1 4.04Å; W214-L311 HydrophobicContact CE3-CD1 3.92Å; W214-L311 HydrophobicContact CH2-CB 4.25Å; W214-L311 HydrophobicContact CH2-CD1 3.55Å; W214-L311 HydrophobicContact CH2-CD2 3.79Å; W214-L311 HydrophobicContact CH2-CG 4.05Å; W214-L311 HydrophobicContact CZ2-CB 3.66Å; W214-L311 HydrophobicContact CZ2-CD1 3.64Å; W214-L311 HydrophobicContact CZ2-CD2 4.05Å; W214-L311 HydrophobicContact CZ2-CG 3.96Å; W214-L311 HydrophobicContact CZ3-CD1 3.68Å; W214-I314 HydrophobicContact CB-CD1 3.94Å; W214-I314 HydrophobicContact CG-CD1 3.71Å |
| 215 | V | 69 | Low | 64 | Low | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.6 | -40 | 179 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | V160 V211 L212 K217 M239 | V160-V215 HydrophobicContact CG1-CB 4.44Å; V160-V215 HydrophobicContact CG1-CG1 4.33Å; V160-V215 HydrophobicContact CG2-CG1 3.82Å; V211-V215 WeakPolarHBondContact O-CG2 3.44Å; V211-V215 PolarHBondContact O-N 3.29Å; L212-V215 PolarHBondContact O-N 3.31Å; V215-K217 VanDerWaalsContact C-N 3.35Å; V215-M239 HydrophobicContact CG1-CE 3.53Å; V215-M239 HydrophobicContact CG1-SD 3.54Å; V215-M239 VanDerWaalsContact CG1-SD 3.54Å |
| 216 | S | 68.3 | Low | 62.8 | Low | 51 Ų | 51 | 58.2 Ų | 58.2 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.1 | -24.7 | 179.4 | 69.5 | 0 | 0 | 0 | 0 | 114.1 | L164 L212 S213 W214 | L164-S216 WeakPolarHBondContact CD1-OG 3.46Å; L212-S216 PolarHBondContact O-N 3.44Å; S213-S216 PolarHBondContact O-OG 3.15Å; S213-S216 VanDerWaalsContact O-OG 3.06Å; W214-S216 VanDerWaalsContact C-N 3.29Å; W214-S216 PolarHBondContact O-N 2.93Å |
| 217 | K | 65.9 | Low | 61.6 | Low | 90 Ų | 90 | 60.4 Ų | 60.4 | 39% | 0.391 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -98.8 | 2.1 | -175.1 | -70.6 | -175.2 | 176.1 | -175.9 | 0 | 114.6 | I73 S213 W214 V215 S219 | I73-K217 HydrophobicContact CG1-CD 4.36Å; S213-K217 WeakPolarHBondContact O-CB 3.29Å; S213-K217 WeakPolarHBondContact O-CG 3.32Å; S213-K217 PolarHBondContact O-N 2.83Å; W214-K217 PolarHBondContact O-N 3.46Å; W214-K217 VanDerWaalsContact O-N 3.11Å; V215-K217 VanDerWaalsContact C-N 3.35Å; K217-S219 PolarHBondContact O-N 2.81Å |
| 218 | L | 63.9 | Low | 60.3 | Low | 26 Ų | 26 | 59.9 Ų | 59.9 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | trans | -67.3 | 112.8 | -178.3 | -84.3 | 161 | 0 | 0 | 0 | 113.2 | W214 I238 | W214-L218 HydrophobicContact CD2-CD1 4.02Å; W214-L218 HydrophobicContact CD2-CG 4.29Å; W214-L218 HydrophobicContact CE3-CD1 3.92Å; W214-L218 HydrophobicContact CH2-CD1 3.53Å; W214-L218 HydrophobicContact CH2-CD2 4.19Å; W214-L218 HydrophobicContact CH2-CG 4.36Å; W214-L218 HydrophobicContact CZ2-CD1 3.65Å; W214-L218 HydrophobicContact CZ2-CD2 3.48Å; W214-L218 VanDerWaalsContact CZ2-CD2 3.48Å; W214-L218 HydrophobicContact CZ2-CG 3.97Å; W214-L218 HydrophobicContact CZ3-CD1 3.68Å; W214-L218 WeakPolarHBondContact O-CG 3.3Å; W214-L218 PolarHBondContact O-N 3.44Å; L218-I238 HydrophobicContact CB-CB 3.95Å; L218-I238 HydrophobicContact CB-CD1 3.82Å; L218-I238 HydrophobicContact CB-CG1 4.34Å; L218-I238 HydrophobicContact CB-CG2 4.13Å; L218-I238 HydrophobicContact CD1-CG2 3.93Å; L218-I238 HydrophobicContact CD2-CD1 3.64Å; L218-I238 HydrophobicContact CD2-CG2 4.18Å; L218-I238 HydrophobicContact CG-CD1 4.32Å; L218-I238 HydrophobicContact CG-CG2 4.3Å | ||
| 219 | S | 56.9 | Low | 58.9 | Low | 96 Ų | 96 | 67.8 Ų | 67.8 | 67% | 0.671 | 34% | 0.343 | S | S | * | . | trans | -108.4 | 142.2 | 174 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | K217 I238 | K217-S219 PolarHBondContact O-N 2.81Å; S219-I238 VanDerWaalsContact C-CD1 3.5Å; S219-I238 WeakPolarHBondContact O-CD1 3.36Å | ||
| 220 | L | 57.1 | Low | 57.7 | Low | 55 Ų | 55 | 71 Ų | 71 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | trans | -77.7 | 130.1 | -176 | -116.7 | 152.4 | 0 | 0 | 0 | 111.5 | L223 V236 I238 L241 | L220-L223 HydrophobicContact CD2-CD1 4.09Å; L220-V236 VanDerWaalsContact CD1-C 3.43Å; L220-V236 HydrophobicContact CD1-CB 3.98Å; L220-V236 HydrophobicContact CD1-CG1 3.91Å; L220-V236 WeakPolarHBondContact CD1-O 3.36Å; L220-I238 HydrophobicContact CB-CG1 4.45Å; L220-I238 HydrophobicContact CG-CG1 3.87Å; L220-L241 HydrophobicContact CD1-CD1 4.11Å; L220-L241 HydrophobicContact CD2-CD1 3.79Å; L220-L241 HydrophobicContact CG-CD1 4.22Å | ||
| 221 | Q | 57.7 | Low | 56.6 | Low | 76 Ų | 76 | 72 Ų | 72 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | trans | -78.7 | 146 | 170.2 | -61.8 | -165.7 | -70.1 | 0 | 0 | 111.2 | L223 Q304 C306 | Q221-L223 PolarHBondContact O-N 2.86Å; Q221-L223 VanDerWaalsContact O-N 3.11Å; Q221-Q304 PolarHBondContact O-NE2 2.69Å; Q221-C306 VanDerWaalsContact CD-CB 3.48Å; Q221-C306 VanDerWaalsContact NE2-CB 3.29Å; Q221-C306 PolarHBondContact NE2-SG 3.17Å; Q221-C306 VanDerWaalsContact OE1-N 3.13Å | ||
| 222 | E | 51 | Low | 55 | Low | 202 Ų | 202 | 75.8 Ų | 75.8 | 94% | 0.944 | 40% | 0.395 | S | S | * | . | trans | -54.8 | 115.5 | 179.9 | -75 | -168.9 | 159.9 | 0 | 0 | 111.3 | ||||
| 223 | L | 52.7 | Low | 53.7 | Low | 38 Ų | 38 | 77.3 Ų | 77.3 | 20% | 0.199 | 41% | 0.412 | C | S | . | . | trans | -73 | 144.4 | 176.6 | -80.1 | 143.7 | 0 | 0 | 0 | 110.7 | L220 Q221 D227 L228 L231 | L220-L223 HydrophobicContact CD2-CD1 4.09Å; Q221-L223 PolarHBondContact O-N 2.86Å; Q221-L223 VanDerWaalsContact O-N 3.11Å; L223-D227 HydrophobicContact CD2-CB 4.3Å; L223-L228 HydrophobicContact CB-CD1 4.5Å; L223-L228 HydrophobicContact CB-CG 4.41Å; L223-L228 VanDerWaalsContact O-CD1 3.28Å; L223-L228 WeakPolarHBondContact O-CD1 3.45Å; L223-L231 HydrophobicContact CD1-CD1 4.02Å; L223-L231 HydrophobicContact CD2-CD1 4.44Å | ||
| 224 | N | 46.5 | Very low | 52.2 | Low | 100 Ų | 100 | 84.4 Ų | 84.4 | 54% | 0.535 | 46% | 0.455 | S | S | . | . | trans | -57 | 139.5 | 171.3 | -90.1 | -25.7 | 0 | 0 | 0 | 111.2 | N226 D227 L228 | N224-N226 PolarHBondContact O-N 3.46Å; N224-D227 PolarHBondContact O-N 3.49Å; N224-L228 PolarHBondContact O-N 3.32Å | ||
| 225 | K | 46.1 | Very low | 51 | Low | 174 Ų | 174 | 86.6 Ų | 86.6 | 76% | 0.757 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -23.4 | -178 | -78.3 | -179.9 | 177.6 | 173.9 | 0 | 114.8 | ||
| 226 | N | 45.5 | Very low | 50.3 | Low | 137 Ų | 137 | 88.4 Ų | 88.4 | 73% | 0.733 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -31.1 | 178.5 | -68.9 | -12.7 | 0 | 0 | 0 | 113.1 | N224 | N224-N226 PolarHBondContact O-N 3.46Š|
| 227 | D | 47.3 | Very low | 50.1 | Low | 64 Ų | 64 | 88.1 Ų | 88.1 | 34% | 0.342 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -80.3 | -25.1 | 177.5 | -62.3 | -36.4 | 0 | 0 | 0 | 111.6 | L223 N224 F229 S230 | L223-D227 HydrophobicContact CD2-CB 4.3Å; N224-D227 PolarHBondContact O-N 3.49Å; D227-F229 PolarHBondContact O-N 3.24Å; D227-S230 PolarHBondContact O-N 3.43Å; D227-S230 PolarHBondContact O-OG 2.85Å |
| 228 | L | 40 | Very low | 50 | Low | 81 Ų | 81 | 83.9 Ų | 83.9 | 42% | 0.424 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -56.6 | -25.8 | 173.5 | -97.5 | 144.3 | 0 | 0 | 0 | 114 | L223 N224 S230 L231 T232 | L223-L228 HydrophobicContact CB-CD1 4.5Å; L223-L228 HydrophobicContact CB-CG 4.41Å; L223-L228 VanDerWaalsContact O-CD1 3.28Å; L223-L228 WeakPolarHBondContact O-CD1 3.45Å; N224-L228 PolarHBondContact O-N 3.32Å; L228-S230 VanDerWaalsContact C-N 3.28Å; L228-S230 PolarHBondContact O-N 2.93Å; L228-L231 CarbonylContact O-C 3.57Å; L228-L231 PolarHBondContact O-N 3.38Å; L228-T232 PolarHBondContact O-N 3.16Å |
| 229 | F | 40.7 | Very low | 50.3 | Low | 169 Ų | 169 | 83.3 Ų | 83.3 | 74% | 0.741 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -71 | -21.6 | 176.2 | -82.3 | -78.3 | 0 | 0 | 0 | 113.6 | D227 | D227-F229 PolarHBondContact O-N 3.24Š|
| 230 | S | 48.1 | Very low | 50.8 | Low | 80 Ų | 80 | 79.4 Ų | 79.4 | 56% | 0.559 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -86.9 | -13.6 | 173.8 | 76.7 | 0 | 0 | 0 | 0 | 113.2 | D227 L228 | D227-S230 PolarHBondContact O-N 3.43Å; D227-S230 PolarHBondContact O-OG 2.85Å; L228-S230 VanDerWaalsContact C-N 3.28Å; L228-S230 PolarHBondContact O-N 2.93Å |
| 231 | L | 46.3 | Very low | 51.3 | Low | 21 Ų | 21 | 77.2 Ų | 77.2 | 11% | 0.11 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -127.7 | 46.5 | -169.6 | -75.4 | 159.5 | 0 | 0 | 0 | 111.1 | L223 L228 G233 L241 | L223-L231 HydrophobicContact CD1-CD1 4.02Å; L223-L231 HydrophobicContact CD2-CD1 4.44Å; L228-L231 CarbonylContact O-C 3.57Å; L228-L231 PolarHBondContact O-N 3.38Å; L231-G233 PolarHBondContact O-N 2.84Å; L231-G233 VanDerWaalsContact O-N 3.15Å; L231-L241 HydrophobicContact CD2-CD2 4.14Å |
| 232 | T | 36.6 | Very low | 51.7 | Low | 94 Ų | 94 | 73.8 Ų | 73.8 | 58% | 0.577 | 42% | 0.416 | S | S | * | . | trans | -75.7 | 102.8 | -178.2 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | R146 L228 | R146-T232 VanDerWaalsContact CZ-O 3.29Å; R146-T232 PolarHBondContact NH1-O 3.45Å; R146-T232 PolarHBondContact NH2-O 3.37Å; R146-T232 VanDerWaalsContact NH2-O 3.1Å; L228-T232 PolarHBondContact O-N 3.16Å | ||
| 233 | G | 42.3 | Very low | 52.6 | Low | 37 Ų | 37 | 64.4 Ų | 64.4 | 38% | 0.381 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 144.8 | 139.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R146 L231 | R146-G233 PolarHBondContact NH2-O 3.45Å; L231-G233 PolarHBondContact O-N 2.84Å; L231-G233 VanDerWaalsContact O-N 3.15Å |
| 234 | V | 40.8 | Very low | 53.4 | Low | 155 Ų | 155 | 67.6 Ų | 67.6 | 94% | 0.939 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -18.8 | 119.4 | 178 | -167.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 235 | G | 47.8 | Very low | 54.3 | Low | 64 Ų | 64 | 64.6 Ų | 64.6 | 66% | 0.66 | 36% | 0.364 | S | S | * | . | trans | 93.8 | 31.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | S237 | G235-S237 PolarHBondContact O-N 2.71Š| ||
| 236 | V | 55.7 | Low | 55.2 | Low | 46 Ų | 46 | 56.5 Ų | 56.5 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | trans | -66.5 | 126.2 | 169.9 | -168.8 | 0 | 0 | 0 | 0 | 107.8 | L220 T240 L241 | L220-V236 VanDerWaalsContact CD1-C 3.43Å; L220-V236 HydrophobicContact CD1-CB 3.98Å; L220-V236 HydrophobicContact CD1-CG1 3.91Å; L220-V236 WeakPolarHBondContact CD1-O 3.36Å; V236-T240 HydrophobicContact CG1-CG2 4.35Å; V236-L241 HydrophobicContact CG1-CD1 4.39Å; V236-L241 HydrophobicContact CG1-CD2 4.22Å; V236-L241 HydrophobicContact CG1-CG 3.88Å | ||
| 237 | S | 62.7 | Low | 56.2 | Low | 45 Ų | 45 | 50.9 Ų | 50.9 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | trans | -101.5 | 158.9 | 168.6 | 68 | 0 | 0 | 0 | 0 | 109.2 | G235 M239 T240 L241 | G235-S237 PolarHBondContact O-N 2.71Å; S237-M239 PolarHBondContact O-N 2.9Å; S237-M239 PolarHBondContact OG-N 3.44Å; S237-T240 PolarHBondContact N-OG1 2.9Å; S237-T240 WeakPolarHBondContact O-CA 3.37Å; S237-T240 VanDerWaalsContact O-CB 3.28Å; S237-T240 WeakPolarHBondContact O-CB 3.22Å; S237-T240 PolarHBondContact O-N 3.25Å; S237-T240 PolarHBondContact OG-N 2.86Å; S237-T240 PolarHBondContact OG-OG1 3.09Å; S237-L241 PolarHBondContact O-N 3.45Å | ||
| 238 | I | 65 | Low | 57.1 | Low | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.1 | -33.9 | 171.3 | -70.9 | -177.5 | 0 | 0 | 0 | 110.4 | L218 S219 L220 T240 L241 C242 L299 S307 | L218-I238 HydrophobicContact CB-CB 3.95Å; L218-I238 HydrophobicContact CB-CD1 3.82Å; L218-I238 HydrophobicContact CB-CG1 4.34Å; L218-I238 HydrophobicContact CB-CG2 4.13Å; L218-I238 HydrophobicContact CD1-CG2 3.93Å; L218-I238 HydrophobicContact CD2-CD1 3.64Å; L218-I238 HydrophobicContact CD2-CG2 4.18Å; L218-I238 HydrophobicContact CG-CD1 4.32Å; L218-I238 HydrophobicContact CG-CG2 4.3Å; S219-I238 VanDerWaalsContact C-CD1 3.5Å; S219-I238 WeakPolarHBondContact O-CD1 3.36Å; L220-I238 HydrophobicContact CB-CG1 4.45Å; L220-I238 HydrophobicContact CG-CG1 3.87Å; I238-T240 VanDerWaalsContact C-N 3.34Å; I238-T240 PolarHBondContact O-N 2.98Å; I238-L241 WeakPolarHBondContact O-CB 3.26Å; I238-L241 PolarHBondContact O-N 2.77Å; I238-L241 VanDerWaalsContact O-N 3.12Å; I238-C242 PolarHBondContact O-N 2.91Å; I238-C242 PolarHBondContact O-SG 2.75Å; I238-C242 VanDerWaalsContact O-SG 3.38Å; I238-L299 HydrophobicContact CG2-CD2 4.07Å; I238-S307 WeakPolarHBondContact CD1-OG 3.2Å |
| 239 | M | 68.5 | Low | 58.2 | Low | 14 Ų | 14 | 49.5 Ų | 49.5 | 7% | 0.069 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 174 | -65.3 | -59.6 | -82.4 | 0 | 0 | 112.5 | A153 L156 V215 S237 L241 C242 C243 L286 | A153-M239 HydrophobicContact CB-CB 4.03Å; L156-M239 HydrophobicContact CB-CE 3.67Å; L156-M239 HydrophobicContact CD1-CE 4.2Å; L156-M239 HydrophobicContact CD2-CE 3.84Å; L156-M239 HydrophobicContact CG-CE 4.11Å; V215-M239 HydrophobicContact CG1-CE 3.53Å; V215-M239 HydrophobicContact CG1-SD 3.54Å; V215-M239 VanDerWaalsContact CG1-SD 3.54Å; S237-M239 PolarHBondContact O-N 2.9Å; S237-M239 PolarHBondContact OG-N 3.44Å; M239-L241 VanDerWaalsContact C-N 3.31Å; M239-L241 PolarHBondContact O-N 3.26Å; M239-C242 PolarHBondContact O-N 3.28Å; M239-C243 VanDerWaalsContact O-CB 3.27Å; M239-C243 WeakPolarHBondContact O-CB 3.48Å; M239-C243 PolarHBondContact O-N 2.72Å; M239-C243 PolarHBondContact O-SG 2.79Å; M239-L286 HydrophobicContact CE-CD1 3.97Å |
| 240 | T | 68.1 | Low | 59.1 | Low | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 173.7 | -47.1 | 0 | 0 | 0 | 0 | 111.5 | F149 D150 V236 S237 I238 R244 | F149-T240 HydrophobicContact CB-CG2 4.32Å; D150-T240 VanDerWaalsContact OD1-CG2 3.3Å; D150-T240 WeakPolarHBondContact OD1-CG2 3.24Å; V236-T240 HydrophobicContact CG1-CG2 4.35Å; S237-T240 PolarHBondContact N-OG1 2.9Å; S237-T240 WeakPolarHBondContact O-CA 3.37Å; S237-T240 VanDerWaalsContact O-CB 3.28Å; S237-T240 WeakPolarHBondContact O-CB 3.22Å; S237-T240 PolarHBondContact O-N 3.25Å; S237-T240 PolarHBondContact OG-N 2.86Å; S237-T240 PolarHBondContact OG-OG1 3.09Å; I238-T240 VanDerWaalsContact C-N 3.34Å; I238-T240 PolarHBondContact O-N 2.98Å; T240-R244 VanDerWaalsContact O-CB 3.26Å; T240-R244 WeakPolarHBondContact O-CB 3.42Å; T240-R244 PolarHBondContact O-N 3.27Å |
| 241 | L | 67.6 | Low | 59.5 | Low | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.6 | -47.6 | 177.3 | -71.4 | 169.1 | 0 | 0 | 0 | 112.2 | L220 L231 V236 S237 I238 M239 C243 R244 F245 | L220-L241 HydrophobicContact CD1-CD1 4.11Å; L220-L241 HydrophobicContact CD2-CD1 3.79Å; L220-L241 HydrophobicContact CG-CD1 4.22Å; L231-L241 HydrophobicContact CD2-CD2 4.14Å; V236-L241 HydrophobicContact CG1-CD1 4.39Å; V236-L241 HydrophobicContact CG1-CD2 4.22Å; V236-L241 HydrophobicContact CG1-CG 3.88Å; S237-L241 PolarHBondContact O-N 3.45Å; I238-L241 WeakPolarHBondContact O-CB 3.26Å; I238-L241 PolarHBondContact O-N 2.77Å; I238-L241 VanDerWaalsContact O-N 3.12Å; M239-L241 VanDerWaalsContact C-N 3.31Å; M239-L241 PolarHBondContact O-N 3.26Å; L241-C243 PolarHBondContact O-N 3.34Å; L241-R244 PolarHBondContact O-N 3.35Å; L241-F245 WeakPolarHBondContact O-CB 3.13Å; L241-F245 PolarHBondContact O-N 3.11Å |
| 242 | C | 67.1 | Low | 60.2 | Low | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.5 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | I238 M239 R244 F245 V246 | I238-C242 PolarHBondContact O-N 2.91Å; I238-C242 PolarHBondContact O-SG 2.75Å; I238-C242 VanDerWaalsContact O-SG 3.38Å; M239-C242 PolarHBondContact O-N 3.28Å; C242-R244 PolarHBondContact O-N 2.83Å; C242-F245 PolarHBondContact O-N 2.88Å; C242-V246 WeakPolarHBondContact O-CB 3.33Å; C242-V246 WeakPolarHBondContact O-CG2 3.38Å; C242-V246 PolarHBondContact O-N 2.85Å |
| 243 | C | 68.6 | Low | 61.4 | Low | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 178.5 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | F149 L152 L156 M239 L241 W247 | F149-C243 HydrophobicContact CD1-CB 4.14Å; F149-C243 WeakPolarHBondContact CE1-O 3.23Å; L152-C243 HydrophobicContact CD2-CB 3.62Å; L152-C243 WeakPolarHBondContact CD2-SG 3.4Å; L156-C243 WeakPolarHBondContact CD1-SG 3.29Å; M239-C243 VanDerWaalsContact O-CB 3.27Å; M239-C243 WeakPolarHBondContact O-CB 3.48Å; M239-C243 PolarHBondContact O-N 2.72Å; M239-C243 PolarHBondContact O-SG 2.79Å; L241-C243 PolarHBondContact O-N 3.34Å; C243-W247 VanDerWaalsContact O-CB 3.31Å; C243-W247 WeakPolarHBondContact O-CB 3.12Å; C243-W247 PolarHBondContact O-N 3Å |
| 244 | R | 69 | Low | 62.1 | Low | 105 Ų | 105 | 46.5 Ų | 46.5 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 175.7 | -175.3 | 175.8 | 178.7 | -178.5 | -2.3 | 111.6 | F149 T240 L241 C242 N248 | F149-R244 HydrophobicContact CD1-CB 4.43Å; F149-R244 HydrophobicContact CE1-CB 4.4Å; T240-R244 VanDerWaalsContact O-CB 3.26Å; T240-R244 WeakPolarHBondContact O-CB 3.42Å; T240-R244 PolarHBondContact O-N 3.27Å; L241-R244 PolarHBondContact O-N 3.35Å; C242-R244 PolarHBondContact O-N 2.83Å; R244-N248 VanDerWaalsContact O-CB 3.24Å; R244-N248 WeakPolarHBondContact O-CB 3.31Å; R244-N248 PolarHBondContact O-N 3.38Å; R244-N248 PolarHBondContact O-ND2 2.88Å |
| 245 | F | 66.8 | Low | 62.9 | Low | 38 Ų | 38 | 44.8 Ų | 44.8 | 17% | 0.167 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.2 | -49 | 177.7 | -176.2 | -91 | 0 | 0 | 0 | 111.8 | L241 C242 W247 N248 N249 P294 E297 C298 | L241-F245 WeakPolarHBondContact O-CB 3.13Å; L241-F245 PolarHBondContact O-N 3.11Å; C242-F245 PolarHBondContact O-N 2.88Å; F245-W247 PolarHBondContact O-N 3.16Å; F245-N248 PolarHBondContact O-N 3.45Å; F245-N248 VanDerWaalsContact O-N 3.09Å; F245-N249 WeakPolarHBondContact CE1-ND2 3.26Å; F245-N249 WeakPolarHBondContact O-CB 2.95Å; F245-N249 PolarHBondContact O-N 3.45Å; F245-P294 HydrophobicContact CD1-CB 4.47Å; F245-P294 WeakPolarHBondContact CD1-O 3.32Å; F245-P294 HydrophobicContact CE1-CB 3.96Å; F245-P294 WeakPolarHBondContact CE1-O 3.25Å; F245-E297 HydrophobicContact CE1-CB 4.28Å; F245-E297 HydrophobicContact CZ-CB 3.78Å; F245-C298 HydrophobicContact CB-CB 3.79Å; F245-C298 WeakPolarHBondContact CB-SG 3.42Å; F245-C298 HydrophobicContact CD1-CB 3.55Å; F245-C298 HydrophobicContact CD2-CB 3.7Å; F245-C298 HydrophobicContact CE1-CB 3.97Å; F245-C298 HydrophobicContact CE2-CB 4.11Å; F245-C298 HydrophobicContact CG-CB 3.39Å; F245-C298 VanDerWaalsContact CG-SG 3.59Å; F245-C298 HydrophobicContact CZ-CB 4.23Å |
| 246 | V | 64.6 | Low | 63.5 | Low | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -40.8 | 176.5 | 167 | 0 | 0 | 0 | 0 | 111.3 | C242 L252 L256 I285 | C242-V246 WeakPolarHBondContact O-CB 3.33Å; C242-V246 WeakPolarHBondContact O-CG2 3.38Å; C242-V246 PolarHBondContact O-N 2.85Å; V246-L252 HydrophobicContact CG1-CB 4.4Å; V246-L252 HydrophobicContact CG2-CD1 4.5Å; V246-L252 WeakPolarHBondContact O-CB 3.46Å; V246-L256 HydrophobicContact CG1-CD1 3.48Å; V246-L256 VanDerWaalsContact CG1-CD1 3.48Å; V246-I285 HydrophobicContact CG1-CD1 3.43Å; V246-I285 VanDerWaalsContact CG1-CD1 3.43Å; V246-I285 HydrophobicContact CG2-CG2 3.92Å |
| 247 | W | 66.9 | Low | 63.7 | Low | 19 Ų | 19 | 41 Ų | 41 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.1 | -30.8 | 178 | -169.1 | -93.5 | 0 | 0 | 0 | 114.2 | L144 F149 C243 F245 R253 L256 L278 | L144-W247 HydrophobicContact CD1-CD2 3.44Å; L144-W247 VanDerWaalsContact CD1-CD2 3.44Å; L144-W247 VanDerWaalsContact CD1-CE2 3.44Å; L144-W247 HydrophobicContact CD1-CE3 3.56Å; L144-W247 HydrophobicContact CD1-CG 4.09Å; L144-W247 HydrophobicContact CD1-CH2 3.72Å; L144-W247 HydrophobicContact CD1-CZ2 3.61Å; L144-W247 HydrophobicContact CD1-CZ3 3.7Å; L144-W247 HydrophobicContact CG-CD2 4.19Å; L144-W247 HydrophobicContact CG-CH2 4.06Å; L144-W247 HydrophobicContact CG-CZ2 3.61Å; F149-W247 HydrophobicContact CE1-CB 3.61Å; F149-W247 AromaticContact CE1-CG 3.91Å; F149-W247 HydrophobicContact CE1-CG 3.91Å; F149-W247 HydrophobicContact CZ-CB 3.77Å; F149-W247 AromaticContact CZ-CD1 3.65Å; F149-W247 AromaticContact CZ-CG 3.74Å; F149-W247 HydrophobicContact CZ-CG 3.74Å; C243-W247 VanDerWaalsContact O-CB 3.31Å; C243-W247 WeakPolarHBondContact O-CB 3.12Å; C243-W247 PolarHBondContact O-N 3Å; F245-W247 PolarHBondContact O-N 3.16Å; W247-R253 WeakPolarHBondContact O-CB 3.46Å; W247-R253 WeakPolarHBondContact O-CD 3.22Å; W247-R253 WeakPolarHBondContact O-CG 3.27Å; W247-R253 PolarHBondContact O-NE 2.74Å; W247-L256 HydrophobicContact CZ3-CD2 4.45Å; W247-L278 HydrophobicContact CZ3-CD2 3.84Å |
| 248 | N | 65.8 | Low | 63.3 | Low | 82 Ų | 82 | 40.7 Ų | 40.7 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -82.8 | -24.8 | 180 | -74.6 | -18.2 | 0 | 0 | 0 | 112.8 | R244 F245 P250 | R244-N248 VanDerWaalsContact O-CB 3.24Å; R244-N248 WeakPolarHBondContact O-CB 3.31Å; R244-N248 PolarHBondContact O-N 3.38Å; R244-N248 PolarHBondContact O-ND2 2.88Å; F245-N248 PolarHBondContact O-N 3.45Å; F245-N248 VanDerWaalsContact O-N 3.09Å; N248-P250 WeakPolarHBondContact O-CD 3.26Å |
| 249 | N | 63.5 | Low | 62.7 | Low | 33 Ų | 33 | 42 Ų | 42 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -73.1 | 112.1 | 178.4 | -154.8 | -38.7 | 0 | 0 | 0 | 108.8 | F245 E251 L252 R253 | F245-N249 WeakPolarHBondContact CE1-ND2 3.26Å; F245-N249 WeakPolarHBondContact O-CB 2.95Å; F245-N249 PolarHBondContact O-N 3.45Å; N249-E251 PolarHBondContact O-N 3.08Å; N249-L252 HydrophobicContact CB-CB 4.22Å; N249-L252 HydrophobicContact CB-CD1 3.81Å; N249-L252 HydrophobicContact CB-CG 4.2Å; N249-L252 PolarHBondContact O-N 2.95Å; N249-R253 VanDerWaalsContact O-CB 3.3Å; N249-R253 WeakPolarHBondContact O-CB 3.24Å; N249-R253 PolarHBondContact O-N 3.31Å |
| 250 | P | 60 | Low | 62 | Low | 90 Ų | 90 | 42.4 Ų | 42.4 | 58% | 0.584 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.4 | -32.9 | -168.9 | 21.6 | -31.5 | 0 | 0 | 0 | 112.4 | N248 C254 | N248-P250 WeakPolarHBondContact O-CD 3.26Å; P250-C254 WeakPolarHBondContact O-CB 3.43Å; P250-C254 PolarHBondContact O-N 2.94Å; P250-C254 PolarHBondContact O-SG 2.77Å |
| 251 | E | 56.7 | Low | 61.1 | Low | 146 Ų | 146 | 50.2 Ų | 50.2 | 68% | 0.682 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.4 | -47.3 | 178.4 | -60.8 | -172.8 | 166.6 | 0 | 0 | 112 | N249 C254 Q255 | N249-E251 PolarHBondContact O-N 3.08Å; E251-C254 PolarHBondContact O-N 2.83Å; E251-Q255 WeakPolarHBondContact O-CG 2.99Å; E251-Q255 PolarHBondContact O-N 2.78Å |
| 252 | L | 60.2 | Low | 60.1 | Low | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.4 | -35.9 | 179.6 | -60.8 | 169.3 | 0 | 0 | 0 | 111.5 | V246 N249 C254 Q255 L256 I285 P294 | V246-L252 HydrophobicContact CG1-CB 4.4Å; V246-L252 HydrophobicContact CG2-CD1 4.5Å; V246-L252 WeakPolarHBondContact O-CB 3.46Å; N249-L252 HydrophobicContact CB-CB 4.22Å; N249-L252 HydrophobicContact CB-CD1 3.81Å; N249-L252 HydrophobicContact CB-CG 4.2Å; N249-L252 PolarHBondContact O-N 2.95Å; L252-C254 VanDerWaalsContact C-N 3.34Å; L252-Q255 PolarHBondContact O-N 2.9Å; L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 PolarHBondContact O-N 2.74Å; L252-I285 HydrophobicContact CD2-CG2 4.44Å; L252-P294 HydrophobicContact CD1-CB 3.35Å; L252-P294 HydrophobicContact CD1-CG 3.48Å; L252-P294 VanDerWaalsContact CD1-CG 3.48Å; L252-P294 HydrophobicContact CD2-CG 3.88Å; L252-P294 HydrophobicContact CG-CG 4.22Å |
| 253 | R | 61.5 | Low | 59.1 | Low | 47 Ų | 47 | 61.5 Ų | 61.5 | 18% | 0.177 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 173.4 | -165.4 | -172.5 | -157.8 | 163.9 | -4.7 | 111.2 | A141 P142 W247 N249 L256 L257 | A141-R253 PolarHBondContact O-NH2 2.75Å; P142-R253 PolarHBondContact O-NH2 2.76Å; W247-R253 WeakPolarHBondContact O-CB 3.46Å; W247-R253 WeakPolarHBondContact O-CD 3.22Å; W247-R253 WeakPolarHBondContact O-CG 3.27Å; W247-R253 PolarHBondContact O-NE 2.74Å; N249-R253 VanDerWaalsContact O-CB 3.3Å; N249-R253 WeakPolarHBondContact O-CB 3.24Å; N249-R253 PolarHBondContact O-N 3.31Å; R253-L256 PolarHBondContact O-N 2.95Å; R253-L257 HydrophobicContact CG-CD1 3.94Å; R253-L257 WeakPolarHBondContact O-CB 3.46Å; R253-L257 WeakPolarHBondContact O-CD1 3.12Å; R253-L257 WeakPolarHBondContact O-CG 3.49Å; R253-L257 PolarHBondContact O-N 2.78Å |
| 254 | C | 57.5 | Low | 57.8 | Low | 42 Ų | 42 | 72.7 Ų | 72.7 | 28% | 0.284 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 173.6 | -78.5 | 0 | 0 | 0 | 0 | 111.1 | P250 E251 L252 L256 L257 D258 | P250-C254 WeakPolarHBondContact O-CB 3.43Å; P250-C254 PolarHBondContact O-N 2.94Å; P250-C254 PolarHBondContact O-SG 2.77Å; E251-C254 PolarHBondContact O-N 2.83Å; L252-C254 VanDerWaalsContact C-N 3.34Å; C254-L256 VanDerWaalsContact C-N 3.32Å; C254-L256 PolarHBondContact O-N 2.82Å; C254-L257 PolarHBondContact O-N 2.81Å; C254-D258 VanDerWaalsContact O-CB 3.28Å; C254-D258 WeakPolarHBondContact O-CB 3.4Å; C254-D258 PolarHBondContact O-N 2.76Å |
| 255 | Q | 56.8 | Low | 56.6 | Low | 118 Ų | 118 | 70.5 Ų | 70.5 | 55% | 0.551 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.3 | -40.6 | 174.7 | -70.8 | 174.4 | -0.8 | 0 | 0 | 112.9 | E251 L252 S259 | E251-Q255 WeakPolarHBondContact O-CG 2.99Å; E251-Q255 PolarHBondContact O-N 2.78Å; L252-Q255 PolarHBondContact O-N 2.9Å; Q255-S259 WeakPolarHBondContact O-CB 3.24Å; Q255-S259 PolarHBondContact O-N 2.89Å; Q255-S259 VanDerWaalsContact O-N 3.12Å |
| 256 | L | 60.5 | Low | 55.5 | Low | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 176.4 | -120.6 | 145.4 | 0 | 0 | 0 | 111.7 | V246 W247 L252 R253 C254 S259 L260 L278 I285 | V246-L256 HydrophobicContact CG1-CD1 3.48Å; V246-L256 VanDerWaalsContact CG1-CD1 3.48Å; W247-L256 HydrophobicContact CZ3-CD2 4.45Å; L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 PolarHBondContact O-N 2.74Å; R253-L256 PolarHBondContact O-N 2.95Å; C254-L256 VanDerWaalsContact C-N 3.32Å; C254-L256 PolarHBondContact O-N 2.82Å; L256-S259 PolarHBondContact O-OG 3.33Å; L256-L260 WeakPolarHBondContact O-CG 3.38Å; L256-L260 PolarHBondContact O-N 2.74Å; L256-L278 HydrophobicContact CD2-CD2 3.54Å; L256-I285 HydrophobicContact CD1-CD1 3.9Å |
| 257 | L | 59.8 | Low | 54.5 | Low | 28 Ų | 28 | 80.2 Ų | 80.2 | 15% | 0.147 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72 | -39.8 | -179.8 | -69.9 | 164.1 | 0 | 0 | 0 | 112.7 | A141 R253 C254 S259 L260 Y261 | A141-L257 HydrophobicContact CB-CD1 3.42Å; A141-L257 VanDerWaalsContact CB-CD1 3.42Å; A141-L257 HydrophobicContact CB-CD2 3.59Å; A141-L257 HydrophobicContact CB-CG 4.12Å; R253-L257 HydrophobicContact CG-CD1 3.94Å; R253-L257 WeakPolarHBondContact O-CB 3.46Å; R253-L257 WeakPolarHBondContact O-CD1 3.12Å; R253-L257 WeakPolarHBondContact O-CG 3.49Å; R253-L257 PolarHBondContact O-N 2.78Å; C254-L257 PolarHBondContact O-N 2.81Å; L257-S259 VanDerWaalsContact C-N 3.29Å; L257-S259 PolarHBondContact O-N 2.92Å; L257-L260 PolarHBondContact O-N 3.49Å; L257-L260 VanDerWaalsContact O-N 3.11Å; L257-Y261 PolarHBondContact O-N 3.22Å |
| 258 | D | 54 | Low | 53.3 | Low | 38 Ų | 38 | 88 Ų | 88 | 20% | 0.203 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.3 | -71.7 | -23 | 0 | 0 | 0 | 110 | C254 L260 Y261 E262 | C254-D258 VanDerWaalsContact O-CB 3.28Å; C254-D258 WeakPolarHBondContact O-CB 3.4Å; C254-D258 PolarHBondContact O-N 2.76Å; D258-L260 VanDerWaalsContact C-N 3.27Å; D258-L260 PolarHBondContact O-N 2.78Å; D258-Y261 PolarHBondContact O-N 3.19Å; D258-E262 PolarHBondContact O-N 2.81Å |
| 259 | S | 53.7 | Low | 52.6 | Low | 29 Ų | 29 | 85.4 Ų | 85.4 | 20% | 0.203 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.4 | -25.7 | 175.3 | 83.7 | 0 | 0 | 0 | 0 | 114.4 | Q255 L256 L257 | Q255-S259 WeakPolarHBondContact O-CB 3.24Å; Q255-S259 PolarHBondContact O-N 2.89Å; Q255-S259 VanDerWaalsContact O-N 3.12Å; L256-S259 PolarHBondContact O-OG 3.33Å; L257-S259 VanDerWaalsContact C-N 3.29Å; L257-S259 PolarHBondContact O-N 2.92Å |
| 260 | L | 53.6 | Low | 52.4 | Low | 22 Ų | 22 | 88.5 Ų | 88.5 | 12% | 0.115 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -84.5 | -30.3 | 177.4 | -71.4 | 167.3 | 0 | 0 | 0 | 112 | L256 L257 D258 L274 R277 L278 | L256-L260 WeakPolarHBondContact O-CG 3.38Å; L256-L260 PolarHBondContact O-N 2.74Å; L257-L260 PolarHBondContact O-N 3.49Å; L257-L260 VanDerWaalsContact O-N 3.11Å; D258-L260 VanDerWaalsContact C-N 3.27Å; D258-L260 PolarHBondContact O-N 2.78Å; L260-L274 HydrophobicContact CD2-CD2 4.27Å; L260-R277 HydrophobicContact CD2-CB 3.75Å; L260-L278 HydrophobicContact CD1-CD2 4.2Å |
| 261 | Y | 49.6 | Very low | 52.7 | Low | 178 Ų | 178 | 85.7 Ų | 85.7 | 70% | 0.698 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -77.3 | -34.9 | -178.3 | -120.6 | -88.7 | 0 | 0 | 0 | 113.3 | L257 D258 Q263 | L257-Y261 PolarHBondContact O-N 3.22Å; D258-Y261 PolarHBondContact O-N 3.19Å; Y261-Q263 PolarHBondContact O-N 3.25Å; Y261-Q263 VanDerWaalsContact O-N 3.15Å |
| 262 | E | 46.8 | Very low | 53 | Low | 144 Ų | 144 | 79.3 Ų | 79.3 | 67% | 0.673 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15.8 | 179.6 | -75 | -174.1 | 156.6 | 0 | 0 | 114 | D258 | D258-E262 PolarHBondContact O-N 2.81Š|
| 263 | Q | 45.9 | Very low | 53.1 | Low | 106 Ų | 106 | 84.8 Ų | 84.8 | 50% | 0.495 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 22.1 | -175.5 | -68.7 | -166.8 | -14.6 | 0 | 0 | 115.7 | Y261 V265 | Y261-Q263 PolarHBondContact O-N 3.25Å; Y261-Q263 VanDerWaalsContact O-N 3.15Å; Q263-V265 PolarHBondContact O-N 3.32Å |
| 264 | R | 40.3 | Very low | 53.3 | Low | 240 Ų | 240 | 84.8 Ų | 84.8 | 91% | 0.906 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 51.6 | 173.7 | -65.2 | -174.7 | 178.7 | -178.9 | 0 | 115.3 | ||
| 265 | V | 45 | Very low | 53.9 | Low | 58 Ų | 58 | 82.8 Ų | 82.8 | 35% | 0.352 | 41% | 0.413 | S | S | . | . | trans | -87.5 | 124.3 | 167.2 | -172.1 | 0 | 0 | 0 | 0 | 108.7 | Q263 | Q263-V265 PolarHBondContact O-N 3.32Š| ||
| 266 | D | 42.6 | Very low | 54.3 | Low | 139 Ų | 139 | 77.8 Ų | 77.8 | 74% | 0.743 | 39% | 0.391 | S | S | * | . | trans | -55.9 | 140.1 | 173.8 | -68.6 | -40.7 | 0 | 0 | 0 | 110.7 | E268 G269 | D266-E268 PolarHBondContact O-N 2.86Å; D266-G269 PolarHBondContact O-N 2.97Å; D266-G269 VanDerWaalsContact O-N 3.08Å | ||
| 267 | A | 43.7 | Very low | 54.4 | Low | 108 Ų | 108 | 81.6 Ų | 81.6 | 89% | 0.893 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 1.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 268 | E | 42.8 | Very low | 54.7 | Low | 182 Ų | 182 | 80.5 Ų | 80.5 | 85% | 0.85 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 7.9 | 177.4 | -62.3 | -170.9 | 163.1 | 0 | 0 | 113.6 | D266 K270 | D266-E268 PolarHBondContact O-N 2.86Å; E268-K270 PolarHBondContact O-N 2.86Å |
| 269 | G | 50.2 | Low | 55.5 | Low | 28 Ų | 28 | 78.7 Ų | 78.7 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | trans | -59.7 | 103.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D266 L274 | D266-G269 PolarHBondContact O-N 2.97Å; D266-G269 VanDerWaalsContact O-N 3.08Å; G269-L274 WeakPolarHBondContact O-CD1 3.31Å | ||
| 270 | K | 59 | Low | 56 | Low | 98 Ų | 98 | 78.9 Ų | 78.9 | 43% | 0.426 | 39% | 0.388 | S | S | . | . | trans | -51.9 | 140 | 173.5 | -60.4 | 178.9 | -179.1 | -169.7 | 0 | 110.9 | E10 A13 E268 G272 H273 | E10-K270 VanDerWaalsContact O-CE 3.26Å; E10-K270 WeakPolarHBondContact O-CE 3.47Å; E10-K270 PolarHBondContact O-NZ 3.34Å; A13-K270 HydrophobicContact CB-CB 3.47Å; A13-K270 VanDerWaalsContact CB-CB 3.47Å; A13-K270 HydrophobicContact CB-CD 3.73Å; A13-K270 HydrophobicContact CB-CG 4.22Å; E268-K270 PolarHBondContact O-N 2.86Å; K270-G272 PolarHBondContact O-N 2.9Å; K270-H273 PolarHBondContact O-N 3.38Å | ||
| 271 | F | 66.5 | Low | 56.6 | Low | 31 Ų | 31 | 78.5 Ų | 78.5 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -44.5 | -38.5 | -173.9 | 179.2 | -106.3 | 0 | 0 | 0 | 114.6 | F14 L144 A148 I151 H273 L274 L275 L278 | F14-F271 HydrophobicContact CD1-CD1 4.22Å; F14-F271 AromaticContact CE1-CD1 3.88Å; F14-F271 HydrophobicContact CE1-CD1 3.88Å; L144-F271 HydrophobicContact CD2-CD2 4.12Å; L144-F271 HydrophobicContact CD2-CE2 3.81Å; A148-F271 HydrophobicContact CB-CD2 4.39Å; A148-F271 HydrophobicContact CB-CE1 4.36Å; A148-F271 HydrophobicContact CB-CE2 3.69Å; A148-F271 HydrophobicContact CB-CZ 3.66Å; I151-F271 HydrophobicContact CB-CE1 4.08Å; I151-F271 HydrophobicContact CB-CZ 4.41Å; I151-F271 HydrophobicContact CD1-CE1 4.05Å; I151-F271 HydrophobicContact CG2-CE1 3.85Å; I151-F271 HydrophobicContact CG2-CZ 4.4Å; F271-H273 VanDerWaalsContact C-N 3.27Å; F271-H273 PolarHBondContact O-N 3.13Å; F271-L274 PolarHBondContact O-N 2.87Å; F271-L274 VanDerWaalsContact O-N 3.07Å; F271-L275 HydrophobicContact CD1-CD1 4.49Å; F271-L275 HydrophobicContact CE1-CD1 3.62Å; F271-L275 HydrophobicContact CE2-CD1 4.22Å; F271-L275 HydrophobicContact CZ-CD1 3.45Å; F271-L275 VanDerWaalsContact CZ-CD1 3.45Å; F271-L275 PolarHBondContact O-N 3.06Å; F271-L278 HydrophobicContact CE2-CD1 4.26Å |
| 272 | G | 62.5 | Low | 57.4 | Low | 12 Ų | 12 | 70.3 Ų | 70.3 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.1 | -30.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S12 K270 | S12-G272 PolarHBondContact O-N 3Å; K270-G272 PolarHBondContact O-N 2.9Å |
| 273 | H | 63.3 | Low | 58.3 | Low | 128 Ų | 128 | 63.6 Ų | 63.6 | 59% | 0.593 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -81.1 | -23.6 | 175.7 | -62.5 | -60.9 | 0 | 0 | 0 | 113.2 | K270 F271 | K270-H273 PolarHBondContact O-N 3.38Å; F271-H273 VanDerWaalsContact C-N 3.27Å; F271-H273 PolarHBondContact O-N 3.13Å |
| 274 | L | 65.3 | Low | 59.3 | Low | 47 Ų | 47 | 60.6 Ų | 60.6 | 25% | 0.246 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -84.1 | -27 | 177.8 | -70.1 | 167.1 | 0 | 0 | 0 | 112.2 | L260 G269 F271 R277 L278 | L260-L274 HydrophobicContact CD2-CD2 4.27Å; G269-L274 WeakPolarHBondContact O-CD1 3.31Å; F271-L274 PolarHBondContact O-N 2.87Å; F271-L274 VanDerWaalsContact O-N 3.07Å; L274-R277 PolarHBondContact O-N 3.47Å; L274-R277 VanDerWaalsContact O-N 3.16Å; L274-L278 HydrophobicContact CB-CD1 4.14Å; L274-L278 WeakPolarHBondContact O-CG 3.22Å; L274-L278 PolarHBondContact O-N 2.76Å |
| 275 | L | 70.2 | Confident | 60.4 | Low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.5 | -49.8 | -171.7 | -163.8 | 80.5 | 0 | 0 | 0 | 114.4 | V27 I151 L152 S155 F271 R277 L278 V279 | V27-L275 HydrophobicContact CB-CD2 4.26Å; V27-L275 HydrophobicContact CG1-CD2 3.7Å; V27-L275 HydrophobicContact CG2-CD2 3.8Å; I151-L275 HydrophobicContact CG2-CD1 3.82Å; I151-L275 HydrophobicContact CG2-CD2 4.01Å; L152-L275 HydrophobicContact CB-CD1 4.38Å; S155-L275 WeakPolarHBondContact OG-CD2 3.48Å; F271-L275 HydrophobicContact CD1-CD1 4.49Å; F271-L275 HydrophobicContact CE1-CD1 3.62Å; F271-L275 HydrophobicContact CE2-CD1 4.22Å; F271-L275 HydrophobicContact CZ-CD1 3.45Å; F271-L275 VanDerWaalsContact CZ-CD1 3.45Å; F271-L275 PolarHBondContact O-N 3.06Å; L275-R277 PolarHBondContact O-N 3.49Å; L275-L278 PolarHBondContact O-N 2.8Å; L275-V279 WeakPolarHBondContact O-CG2 3.39Å; L275-V279 PolarHBondContact O-N 2.72Å |
| 276 | P | 64.6 | Low | 61.2 | Low | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -31.9 | -178.5 | -19.5 | 33.3 | 0 | 0 | 0 | 112.5 | C32 L280 | C32-P276 HydrophobicContact CB-CB 3.8Å; C32-P276 HydrophobicContact CB-CG 4.17Å; P276-L280 WeakPolarHBondContact O-CD1 3.07Å; P276-L280 WeakPolarHBondContact O-CG 3.43Å; P276-L280 PolarHBondContact O-N 2.75Å |
| 277 | R | 62.5 | Low | 62.4 | Low | 83 Ų | 83 | 42.5 Ų | 42.5 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.9 | -36.9 | 177.4 | -63.9 | -173.2 | 179.6 | -168.7 | 2.3 | 112.2 | L260 L274 L275 L280 S281 | L260-R277 HydrophobicContact CD2-CB 3.75Å; L274-R277 PolarHBondContact O-N 3.47Å; L274-R277 VanDerWaalsContact O-N 3.16Å; L275-R277 PolarHBondContact O-N 3.49Å; R277-L280 PolarHBondContact O-N 2.88Å; R277-S281 WeakPolarHBondContact O-CB 3.38Å; R277-S281 PolarHBondContact O-N 2.81Å; R277-S281 PolarHBondContact O-OG 2.88Å |
| 278 | L | 67.1 | Low | 63.1 | Low | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.3 | -73.8 | 169.9 | 0 | 0 | 0 | 111.2 | L152 W247 L256 L260 F271 L274 L275 S281 V282 | L152-L278 HydrophobicContact CD1-CB 3.6Å; L152-L278 HydrophobicContact CD1-CD1 3.81Å; L152-L278 HydrophobicContact CD1-CG 4.18Å; W247-L278 HydrophobicContact CZ3-CD2 3.84Å; L256-L278 HydrophobicContact CD2-CD2 3.54Å; L260-L278 HydrophobicContact CD1-CD2 4.2Å; F271-L278 HydrophobicContact CE2-CD1 4.26Å; L274-L278 HydrophobicContact CB-CD1 4.14Å; L274-L278 WeakPolarHBondContact O-CG 3.22Å; L274-L278 PolarHBondContact O-N 2.76Å; L275-L278 PolarHBondContact O-N 2.8Å; L278-S281 PolarHBondContact O-N 3.21Å; L278-V282 WeakPolarHBondContact O-CG2 3.39Å; L278-V282 PolarHBondContact O-N 3.29Å |
| 279 | V | 69.6 | Low | 63.8 | Low | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.3 | -52.1 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | Y33 L156 F159 L275 S281 V282 V283 | Y33-V279 HydrophobicContact CE1-CG1 4.42Å; Y33-V279 WeakPolarHBondContact OH-CB 3.47Å; Y33-V279 VanDerWaalsContact OH-CG1 3.26Å; Y33-V279 WeakPolarHBondContact OH-CG1 3.3Å; Y33-V279 WeakPolarHBondContact OH-CG2 3.14Å; L156-V279 HydrophobicContact CD2-CG1 4.11Å; L156-V279 HydrophobicContact CG-CB 4.48Å; L156-V279 HydrophobicContact CG-CG1 4.05Å; L156-V279 HydrophobicContact CG-CG2 4.3Å; F159-V279 HydrophobicContact CB-CG1 3.78Å; F159-V279 HydrophobicContact CD1-CG1 4.09Å; F159-V279 HydrophobicContact CD2-CG1 4.3Å; F159-V279 HydrophobicContact CG-CG1 3.78Å; L275-V279 WeakPolarHBondContact O-CG2 3.39Å; L275-V279 PolarHBondContact O-N 2.72Å; V279-S281 VanDerWaalsContact C-N 3.27Å; V279-S281 PolarHBondContact O-N 2.74Å; V279-V282 PolarHBondContact O-N 3.43Å; V279-V283 HydrophobicContact CG1-CG2 4.39Å; V279-V283 VanDerWaalsContact O-CG2 3.3Å; V279-V283 WeakPolarHBondContact O-CG2 3.39Å; V279-V283 PolarHBondContact O-N 3.35Å |
| 280 | L | 65.7 | Low | 64.1 | Low | 33 Ų | 33 | 37.8 Ų | 37.8 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.3 | -38.2 | 178.1 | -72.9 | 160.1 | 0 | 0 | 0 | 113.2 | L36 F159 P276 R277 V283 N284 | L36-L280 HydrophobicContact CD1-CD1 3.58Å; L36-L280 HydrophobicContact CD1-CD2 3.87Å; L36-L280 HydrophobicContact CD1-CG 4.29Å; F159-L280 HydrophobicContact CZ-CD2 4.38Å; P276-L280 WeakPolarHBondContact O-CD1 3.07Å; P276-L280 WeakPolarHBondContact O-CG 3.43Å; P276-L280 PolarHBondContact O-N 2.75Å; R277-L280 PolarHBondContact O-N 2.88Å; L280-V283 PolarHBondContact O-N 3.05Å; L280-N284 PolarHBondContact O-N 2.78Å; L280-N284 PolarHBondContact O-OD1 2.73Å |
| 281 | S | 65.5 | Low | 64.2 | Low | 14 Ų | 14 | 34.3 Ų | 34.3 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.2 | -37.5 | 179.7 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | R277 L278 V279 N284 I285 | R277-S281 WeakPolarHBondContact O-CB 3.38Å; R277-S281 PolarHBondContact O-N 2.81Å; R277-S281 PolarHBondContact O-OG 2.88Å; L278-S281 PolarHBondContact O-N 3.21Å; V279-S281 VanDerWaalsContact C-N 3.27Å; V279-S281 PolarHBondContact O-N 2.74Å; S281-N284 WeakPolarHBondContact O-CB 3.5Å; S281-N284 PolarHBondContact O-N 3.44Å; S281-I285 WeakPolarHBondContact O-CG1 3.34Å; S281-I285 PolarHBondContact O-N 2.61Å |
| 282 | V | 66 | Low | 64.1 | Low | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70 | -39.1 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L152 L156 L278 V279 N284 I285 L286 | L152-V282 HydrophobicContact CD2-CG2 4.24Å; L156-V282 HydrophobicContact CD1-CB 3.86Å; L156-V282 HydrophobicContact CD1-CG1 3.54Å; L156-V282 HydrophobicContact CD1-CG2 4.33Å; L156-V282 HydrophobicContact CD2-CB 4.17Å; L156-V282 HydrophobicContact CD2-CG1 3.93Å; L156-V282 HydrophobicContact CG-CG1 4.4Å; L278-V282 WeakPolarHBondContact O-CG2 3.39Å; L278-V282 PolarHBondContact O-N 3.29Å; V279-V282 PolarHBondContact O-N 3.43Å; V282-N284 VanDerWaalsContact C-N 3.3Å; V282-N284 PolarHBondContact O-N 2.88Å; V282-I285 PolarHBondContact O-N 2.87Å; V282-I285 VanDerWaalsContact O-N 3.1Å; V282-L286 HydrophobicContact CG1-CD1 3.9Å; V282-L286 HydrophobicContact CG1-CG 4.27Å; V282-L286 WeakPolarHBondContact O-CG 3.48Å; V282-L286 PolarHBondContact O-N 3.35Å |
| 283 | V | 66.9 | Low | 64.4 | Low | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -36.4 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | L126 L156 F159 V279 L280 I285 L286 W287 | L126-V283 HydrophobicContact CD2-CB 3.74Å; L126-V283 HydrophobicContact CD2-CG1 3.47Å; L126-V283 VanDerWaalsContact CD2-CG1 3.47Å; L156-V283 HydrophobicContact CD2-CG2 3.51Å; F159-V283 HydrophobicContact CD1-CG2 3.79Å; F159-V283 HydrophobicContact CE1-CB 4.38Å; F159-V283 HydrophobicContact CE1-CG1 4.19Å; F159-V283 HydrophobicContact CE1-CG2 3.65Å; V279-V283 HydrophobicContact CG1-CG2 4.39Å; V279-V283 VanDerWaalsContact O-CG2 3.3Å; V279-V283 WeakPolarHBondContact O-CG2 3.39Å; V279-V283 PolarHBondContact O-N 3.35Å; L280-V283 PolarHBondContact O-N 3.05Å; V283-I285 VanDerWaalsContact C-N 3.28Å; V283-I285 PolarHBondContact O-N 2.71Å; V283-L286 PolarHBondContact O-N 2.79Å; V283-W287 HydrophobicContact CG1-CE3 4.17Å; V283-W287 HydrophobicContact CG1-CZ3 4.34Å; V283-W287 PolarHBondContact O-N 2.85Å; V283-W287 VanDerWaalsContact O-N 3.13Å |
| 284 | N | 64.9 | Low | 64.7 | Low | 43 Ų | 43 | 28.8 Ų | 28.8 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.4 | -36.3 | 171.7 | -83.2 | 18.7 | 0 | 0 | 0 | 113.2 | L126 L280 S281 V282 W287 S290 | L126-N284 VanDerWaalsContact CB-OD1 3.27Å; L126-N284 WeakPolarHBondContact CB-OD1 3.22Å; L126-N284 WeakPolarHBondContact CD1-OD1 3.42Å; L126-N284 WeakPolarHBondContact CD2-OD1 3.48Å; L126-N284 VanDerWaalsContact CG-OD1 3.29Å; L126-N284 WeakPolarHBondContact CG-OD1 3.49Å; L280-N284 PolarHBondContact O-N 2.78Å; L280-N284 PolarHBondContact O-OD1 2.73Å; S281-N284 WeakPolarHBondContact O-CB 3.5Å; S281-N284 PolarHBondContact O-N 3.44Å; V282-N284 VanDerWaalsContact C-N 3.3Å; V282-N284 PolarHBondContact O-N 2.88Å; N284-W287 WeakPolarHBondContact O-CB 3.13Å; N284-W287 PolarHBondContact O-N 3.17Å; N284-S290 PolarHBondContact O-OG 3.07Å |
| 285 | I | 64.1 | Low | 64.9 | Low | 16 Ų | 16 | 26.8 Ų | 26.8 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -78.6 | -34.9 | 180 | -65.5 | 166.6 | 0 | 0 | 0 | 110.9 | V246 L252 L256 S281 V282 V283 W287 G291 | V246-I285 HydrophobicContact CG1-CD1 3.43Å; V246-I285 VanDerWaalsContact CG1-CD1 3.43Å; V246-I285 HydrophobicContact CG2-CG2 3.92Å; L252-I285 HydrophobicContact CD2-CG2 4.44Å; L256-I285 HydrophobicContact CD1-CD1 3.9Å; S281-I285 WeakPolarHBondContact O-CG1 3.34Å; S281-I285 PolarHBondContact O-N 2.61Å; V282-I285 PolarHBondContact O-N 2.87Å; V282-I285 VanDerWaalsContact O-N 3.1Å; V283-I285 VanDerWaalsContact C-N 3.28Å; V283-I285 PolarHBondContact O-N 2.71Å; I285-W287 PolarHBondContact O-N 3.36Å; I285-G291 CarbonylContact O-C 3.5Å |
| 286 | L | 62.6 | Low | 65.1 | Low | 17 Ų | 17 | 26.8 Ų | 26.8 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.5 | -12.7 | 173.2 | -66.8 | 169.9 | 0 | 0 | 0 | 112.6 | M239 V282 V283 V295 | M239-L286 HydrophobicContact CE-CD1 3.97Å; V282-L286 HydrophobicContact CG1-CD1 3.9Å; V282-L286 HydrophobicContact CG1-CG 4.27Å; V282-L286 WeakPolarHBondContact O-CG 3.48Å; V282-L286 PolarHBondContact O-N 3.35Å; V283-L286 PolarHBondContact O-N 2.79Å; L286-V295 HydrophobicContact CD2-CG2 3.78Å |
| 287 | W | 66.8 | Low | 65.4 | Low | 23 Ų | 23 | 28.6 Ų | 28.6 | 9% | 0.087 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -76 | 134.6 | -173.6 | -150.6 | -103.8 | 0 | 0 | 0 | 112.5 | P125 L126 C208 V283 N284 I285 E289 S290 G291 | P125-W287 HydrophobicContact CB-CH2 3.64Å; P125-W287 HydrophobicContact CB-CZ2 3.6Å; P125-W287 HydrophobicContact CB-CZ3 4.48Å; P125-W287 HydrophobicContact CG-CH2 4.14Å; P125-W287 HydrophobicContact CG-CZ2 3.58Å; L126-W287 HydrophobicContact CD1-CB 4.36Å; L126-W287 HydrophobicContact CD1-CD2 3.94Å; L126-W287 HydrophobicContact CD1-CE3 4.02Å; L126-W287 HydrophobicContact CD1-CG 4.09Å; C208-W287 HydrophobicContact CB-CH2 3.8Å; C208-W287 HydrophobicContact CB-CZ2 4.22Å; C208-W287 VanDerWaalsContact SG-CH2 3.52Å; C208-W287 WeakPolarHBondContact SG-CZ2 3.3Å; V283-W287 HydrophobicContact CG1-CE3 4.17Å; V283-W287 HydrophobicContact CG1-CZ3 4.34Å; V283-W287 PolarHBondContact O-N 2.85Å; V283-W287 VanDerWaalsContact O-N 3.13Å; N284-W287 WeakPolarHBondContact O-CB 3.13Å; N284-W287 PolarHBondContact O-N 3.17Å; I285-W287 PolarHBondContact O-N 3.36Å; W287-E289 VanDerWaalsContact C-N 3.31Å; W287-E289 PolarHBondContact O-N 3.22Å; W287-S290 WeakPolarHBondContact CB-OG 3.49Å; W287-S290 PolarHBondContact O-N 3.19Å; W287-G291 PolarHBondContact O-N 3.29Å |
| 288 | P | 58.7 | Low | 65.8 | Low | 21 Ų | 21 | 24.7 Ų | 24.7 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.2 | -37.2 | -173.1 | -25.3 | 32.3 | 0 | 0 | 0 | 114.8 | V211 L315 C319 | V211-P288 HydrophobicContact CG1-CG 4.44Å; V211-P288 HydrophobicContact CG2-CG 3.57Å; P288-L315 HydrophobicContact CB-CD2 3.86Å; P288-L315 HydrophobicContact CG-CD2 3.85Å; P288-C319 HydrophobicContact CB-CB 4.5Å; P288-C319 PolarHBondContact O-SG 3.48Å |
| 289 | E | 57.2 | Low | 66.1 | Low | 121 Ų | 121 | 24.5 Ų | 24.5 | 57% | 0.565 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -84.9 | -17.3 | -175.2 | -65.1 | -167.5 | 174.5 | 0 | 0 | 113.7 | R207 W287 | R207-E289 IonicContact NH1-OE1 2.98Å; W287-E289 VanDerWaalsContact C-N 3.31Å; W287-E289 PolarHBondContact O-N 3.22Å |
| 290 | S | 56.9 | Low | 66.3 | Low | 77 Ų | 77 | 25.5 Ų | 25.5 | 54% | 0.538 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -113.7 | -4.8 | -174.3 | 46.8 | 0 | 0 | 0 | 0 | 116 | N284 W287 | N284-S290 PolarHBondContact O-OG 3.07Å; W287-S290 WeakPolarHBondContact CB-OG 3.49Å; W287-S290 PolarHBondContact O-N 3.19Å |
| 291 | G | 61.1 | Low | 66.6 | Low | 26 Ų | 26 | 27.3 Ų | 27.3 | 27% | 0.268 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | 147.9 | 66.5 | 166 | 0 | 0 | 0 | 0 | 0 | 116.2 | I285 W287 L293 P294 | I285-G291 CarbonylContact O-C 3.5Å; W287-G291 PolarHBondContact O-N 3.29Å; G291-L293 VanDerWaalsContact C-N 3.33Å; G291-L293 PolarHBondContact O-N 3.12Å; G291-P294 WeakPolarHBondContact O-CD 3.37Å |
| 292 | C | 65.5 | Low | 66.8 | Low | 7 Ų | 7 | 29.6 Ų | 29.6 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | trans | -74.4 | -15 | 176.5 | 60.8 | 0 | 0 | 0 | 0 | 115 | V295 F296 L315 | C292-V295 VanDerWaalsContact O-CB 3.3Å; C292-V295 WeakPolarHBondContact O-CB 3.29Å; C292-V295 PolarHBondContact O-N 2.77Å; C292-F296 PolarHBondContact O-N 2.78Å; C292-L315 HydrophobicContact CB-CD1 4.25Å | ||
| 293 | L | 68.8 | Low | 67.1 | Low | 31 Ų | 31 | 36.5 Ų | 36.5 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51.6 | -48.3 | -179.4 | -86.7 | 159.8 | 0 | 0 | 0 | 114.2 | G291 V295 F296 E297 A322 L325 | G291-L293 VanDerWaalsContact C-N 3.33Å; G291-L293 PolarHBondContact O-N 3.12Å; L293-V295 PolarHBondContact O-N 2.76Å; L293-V295 VanDerWaalsContact O-N 3.13Å; L293-F296 WeakPolarHBondContact O-CB 3.32Å; L293-F296 PolarHBondContact O-N 2.94Å; L293-F296 VanDerWaalsContact O-N 3.12Å; L293-E297 WeakPolarHBondContact O-CG 3.43Å; L293-E297 PolarHBondContact O-N 2.81Å; L293-A322 HydrophobicContact CD1-CB 3.46Å; L293-A322 VanDerWaalsContact CD1-CB 3.46Å; L293-A322 HydrophobicContact CD2-CB 3.96Å; L293-A322 HydrophobicContact CG-CB 3.87Å; L293-L325 HydrophobicContact CD2-CB 3.79Å; L293-L325 HydrophobicContact CD2-CD1 4.07Å; L293-L325 HydrophobicContact CD2-CG 4.48Å |
| 294 | P | 68.4 | Low | 67.4 | Low | 16 Ų | 16 | 36.4 Ų | 36.4 | 10% | 0.104 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.6 | -27 | 175 | -26.8 | 37.7 | 0 | 0 | 0 | 114.7 | F245 L252 G291 C298 | F245-P294 HydrophobicContact CD1-CB 4.47Å; F245-P294 WeakPolarHBondContact CD1-O 3.32Å; F245-P294 HydrophobicContact CE1-CB 3.96Å; F245-P294 WeakPolarHBondContact CE1-O 3.25Å; L252-P294 HydrophobicContact CD1-CB 3.35Å; L252-P294 HydrophobicContact CD1-CG 3.48Å; L252-P294 VanDerWaalsContact CD1-CG 3.48Å; L252-P294 HydrophobicContact CD2-CG 3.88Å; L252-P294 HydrophobicContact CG-CG 4.22Å; G291-P294 WeakPolarHBondContact O-CD 3.37Å; P294-C298 VanDerWaalsContact O-CB 3.24Å; P294-C298 WeakPolarHBondContact O-CB 3.42Å; P294-C298 PolarHBondContact O-N 3.32Å |
| 295 | V | 70.5 | Confident | 67.9 | Low | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.4 | -44.5 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 110 | W214 L286 C292 L293 E297 C298 L299 L311 | W214-V295 HydrophobicContact CH2-CG1 4.21Å; L286-V295 HydrophobicContact CD2-CG2 3.78Å; C292-V295 VanDerWaalsContact O-CB 3.3Å; C292-V295 WeakPolarHBondContact O-CB 3.29Å; C292-V295 PolarHBondContact O-N 2.77Å; L293-V295 PolarHBondContact O-N 2.76Å; L293-V295 VanDerWaalsContact O-N 3.13Å; V295-E297 VanDerWaalsContact C-N 3.29Å; V295-E297 PolarHBondContact O-N 3.23Å; V295-C298 WeakPolarHBondContact O-CB 3.17Å; V295-C298 PolarHBondContact O-N 3.15Å; V295-L299 HydrophobicContact CG1-CD1 3.92Å; V295-L299 HydrophobicContact CG1-CG 4.34Å; V295-L299 WeakPolarHBondContact O-CB 3.27Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.45Å; V295-L299 PolarHBondContact O-N 3.46Å; V295-L311 HydrophobicContact CB-CD2 4.28Å; V295-L311 HydrophobicContact CG1-CD2 3.82Å |
| 296 | F | 73.8 | Confident | 68.4 | Low | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 172.3 | -80.3 | -91.6 | 0 | 0 | 0 | 111.5 | C292 L293 S300 V308 L311 L315 R326 Y329 V330 | C292-F296 PolarHBondContact O-N 2.78Å; L293-F296 WeakPolarHBondContact O-CB 3.32Å; L293-F296 PolarHBondContact O-N 2.94Å; L293-F296 VanDerWaalsContact O-N 3.12Å; F296-S300 WeakPolarHBondContact O-CB 3.49Å; F296-S300 PolarHBondContact O-N 2.94Å; F296-V308 HydrophobicContact CD1-CG1 3.81Å; F296-V308 HydrophobicContact CE1-CG1 4.13Å; F296-L311 HydrophobicContact CD2-CD2 3.79Å; F296-L311 HydrophobicContact CD2-CG 4.44Å; F296-L311 HydrophobicContact CE1-CB 4.39Å; F296-L311 HydrophobicContact CE1-CD2 4.29Å; F296-L311 HydrophobicContact CE1-CG 4.27Å; F296-L311 HydrophobicContact CE2-CD2 3.5Å; F296-L311 VanDerWaalsContact CE2-CD2 3.5Å; F296-L311 HydrophobicContact CE2-CG 3.65Å; F296-L311 HydrophobicContact CG-CD2 4.31Å; F296-L311 HydrophobicContact CZ-CB 4.06Å; F296-L311 HydrophobicContact CZ-CD2 3.76Å; F296-L311 HydrophobicContact CZ-CG 3.54Å; F296-L315 HydrophobicContact CE2-CD1 3.63Å; F296-L315 HydrophobicContact CZ-CD1 3.97Å; F296-R326 HydrophobicContact CD2-CG 4.02Å; F296-R326 HydrophobicContact CE1-CB 4.41Å; F296-R326 HydrophobicContact CE1-CG 4.4Å; F296-R326 VanDerWaalsContact CE2-CD 3.49Å; F296-R326 HydrophobicContact CE2-CG 3.71Å; F296-R326 HydrophobicContact CG-CG 4.48Å; F296-R326 HydrophobicContact CZ-CB 4.28Å; F296-R326 HydrophobicContact CZ-CG 3.92Å; F296-Y329 HydrophobicContact CB-CD2 3.91Å; F296-Y329 HydrophobicContact CB-CG 4.13Å; F296-V330 HydrophobicContact CE1-CG2 4.21Å |
| 297 | E | 70.2 | Confident | 68.8 | Low | 51 Ų | 51 | 35 Ų | 35 | 24% | 0.238 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 176.8 | -66.4 | 179.4 | -168.1 | 0 | 0 | 112.5 | F245 L293 V295 S301 Y329 K364 | F245-E297 HydrophobicContact CE1-CB 4.28Å; F245-E297 HydrophobicContact CZ-CB 3.78Å; L293-E297 WeakPolarHBondContact O-CG 3.43Å; L293-E297 PolarHBondContact O-N 2.81Å; V295-E297 VanDerWaalsContact C-N 3.29Å; V295-E297 PolarHBondContact O-N 3.23Å; E297-S301 WeakPolarHBondContact O-CB 3.45Å; E297-S301 PolarHBondContact O-N 3.28Å; E297-S301 PolarHBondContact O-OG 3.25Å; E297-Y329 HydrophobicContact CG-CE2 4.03Å; E297-K364 IonicContact OE1-NZ 3.64Å; E297-K364 PolarHBondContact OE1-NZ 3.05Å; E297-K364 IonicContact OE2-NZ 2.67Å; E297-K364 PolarHBondContact OE2-NZ 3.04Å |
| 298 | C | 71.1 | Confident | 69.4 | Low | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58 | -56.2 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | F245 P294 V295 S300 S301 Q302 | F245-C298 HydrophobicContact CB-CB 3.79Å; F245-C298 WeakPolarHBondContact CB-SG 3.42Å; F245-C298 HydrophobicContact CD1-CB 3.55Å; F245-C298 HydrophobicContact CD2-CB 3.7Å; F245-C298 HydrophobicContact CE1-CB 3.97Å; F245-C298 HydrophobicContact CE2-CB 4.11Å; F245-C298 HydrophobicContact CG-CB 3.39Å; F245-C298 VanDerWaalsContact CG-SG 3.59Å; F245-C298 HydrophobicContact CZ-CB 4.23Å; P294-C298 VanDerWaalsContact O-CB 3.24Å; P294-C298 WeakPolarHBondContact O-CB 3.42Å; P294-C298 PolarHBondContact O-N 3.32Å; V295-C298 WeakPolarHBondContact O-CB 3.17Å; V295-C298 PolarHBondContact O-N 3.15Å; C298-S300 VanDerWaalsContact C-N 3.35Å; C298-S300 PolarHBondContact O-N 3.4Å; C298-S301 PolarHBondContact O-N 3.43Å; C298-S301 PolarHBondContact O-OG 2.87Å; C298-Q302 WeakPolarHBondContact O-CB 3.43Å; C298-Q302 VanDerWaalsContact O-CG 3.32Å; C298-Q302 WeakPolarHBondContact O-CG 3.01Å; C298-Q302 PolarHBondContact O-N 2.66Å |
| 299 | L | 73.7 | Confident | 70.3 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | -175.6 | -66.6 | 172.6 | 0 | 0 | 0 | 111.2 | I238 V295 Q302 R303 Q304 V308 L311 | I238-L299 HydrophobicContact CG2-CD2 4.07Å; V295-L299 HydrophobicContact CG1-CD1 3.92Å; V295-L299 HydrophobicContact CG1-CG 4.34Å; V295-L299 WeakPolarHBondContact O-CB 3.27Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.45Å; V295-L299 PolarHBondContact O-N 3.46Å; L299-Q302 CarbonylContact O-C 3.51Å; L299-Q302 PolarHBondContact O-N 2.92Å; L299-R303 PolarHBondContact O-N 2.83Å; L299-R303 VanDerWaalsContact O-N 3.16Å; L299-Q304 HydrophobicContact CB-CB 4.24Å; L299-Q304 HydrophobicContact CD2-CB 3.89Å; L299-Q304 HydrophobicContact CD2-CG 4.36Å; L299-Q304 PolarHBondContact O-N 2.89Å; L299-V308 HydrophobicContact CB-CG2 3.38Å; L299-V308 HydrophobicContact CD1-CG2 4.4Å; L299-L311 HydrophobicContact CD1-CD2 4.18Å |
| 300 | S | 74.2 | Confident | 71.1 | Confident | 21 Ų | 21 | 33.5 Ų | 33.5 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | F296 C298 Q302 R303 | F296-S300 WeakPolarHBondContact O-CB 3.49Å; F296-S300 PolarHBondContact O-N 2.94Å; C298-S300 VanDerWaalsContact C-N 3.35Å; C298-S300 PolarHBondContact O-N 3.4Å; S300-Q302 VanDerWaalsContact C-N 3.28Å; S300-Q302 PolarHBondContact O-N 3.4Å; S300-R303 PolarHBondContact O-N 3.47Å |
| 301 | S | 71.4 | Confident | 71.9 | Confident | 71 Ų | 71 | 30.2 Ų | 30.2 | 50% | 0.497 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.1 | -30.9 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 113.5 | E297 C298 R303 | E297-S301 WeakPolarHBondContact O-CB 3.45Å; E297-S301 PolarHBondContact O-N 3.28Å; E297-S301 PolarHBondContact O-OG 3.25Å; C298-S301 PolarHBondContact O-N 3.43Å; C298-S301 PolarHBondContact O-OG 2.87Å; S301-R303 VanDerWaalsContact C-N 3.33Å |
| 302 | Q | 70.2 | Confident | 72.6 | Confident | 63 Ų | 63 | 29.4 Ų | 29.4 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 10.1 | 178.6 | -62.1 | -62.1 | -44.6 | 0 | 0 | 112.7 | C298 L299 S300 Q304 | C298-Q302 WeakPolarHBondContact O-CB 3.43Å; C298-Q302 VanDerWaalsContact O-CG 3.32Å; C298-Q302 WeakPolarHBondContact O-CG 3.01Å; C298-Q302 PolarHBondContact O-N 2.66Å; L299-Q302 CarbonylContact O-C 3.51Å; L299-Q302 PolarHBondContact O-N 2.92Å; S300-Q302 VanDerWaalsContact C-N 3.28Å; S300-Q302 PolarHBondContact O-N 3.4Å; Q302-Q304 HydrophobicContact CB-CG 4.21Å; Q302-Q304 PolarHBondContact O-N 3.11Å |
| 303 | R | 72.2 | Confident | 73 | Confident | 149 Ų | 149 | 33.4 Ų | 33.4 | 56% | 0.562 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33.2 | -179.2 | -57.7 | -176.9 | 177.1 | -154.5 | -1.5 | 113.8 | L299 S300 S301 S305 | L299-R303 PolarHBondContact O-N 2.83Å; L299-R303 VanDerWaalsContact O-N 3.16Å; S300-R303 PolarHBondContact O-N 3.47Å; S301-R303 VanDerWaalsContact C-N 3.33Å; R303-S305 PolarHBondContact O-N 2.75Å; R303-S305 VanDerWaalsContact O-N 3.14Å |
| 304 | Q | 73.1 | Confident | 73 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | trans | -87.7 | 61.7 | 174.4 | -64.4 | -63.5 | -51.3 | 0 | 0 | 109.7 | Q221 L299 Q302 C306 S307 V308 | Q221-Q304 PolarHBondContact O-NE2 2.69Å; L299-Q304 HydrophobicContact CB-CB 4.24Å; L299-Q304 HydrophobicContact CD2-CB 3.89Å; L299-Q304 HydrophobicContact CD2-CG 4.36Å; L299-Q304 PolarHBondContact O-N 2.89Å; Q302-Q304 HydrophobicContact CB-CG 4.21Å; Q302-Q304 PolarHBondContact O-N 3.11Å; Q304-C306 PolarHBondContact O-N 3.23Å; Q304-S307 PolarHBondContact O-N 3.2Å; Q304-V308 PolarHBondContact O-N 3.2Å | ||
| 305 | S | 75.7 | Confident | 73.1 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -38.7 | -166.9 | -53.1 | 0 | 0 | 0 | 0 | 112.3 | R303 S307 V308 E309 S333 Q336 M337 | R303-S305 PolarHBondContact O-N 2.75Å; R303-S305 VanDerWaalsContact O-N 3.14Å; S305-S307 VanDerWaalsContact C-N 3.31Å; S305-S307 PolarHBondContact O-N 3.35Å; S305-V308 WeakPolarHBondContact O-CB 3.46Å; S305-V308 PolarHBondContact O-N 3.2Å; S305-E309 PolarHBondContact O-N 2.8Å; S305-S333 WeakPolarHBondContact O-CB 3.49Å; S305-Q336 PolarHBondContact OG-OE1 3.16Å; S305-M337 VanDerWaalsContact CB-CE 3.44Å; S305-M337 WeakPolarHBondContact O-CE 3.36Å |
| 306 | C | 75.3 | Confident | 73 | Confident | 35 Ų | 35 | 35.1 Ų | 35.1 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.3 | -32.7 | 180 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | Q221 Q304 V308 E309 Q310 M337 | Q221-C306 VanDerWaalsContact CD-CB 3.48Å; Q221-C306 VanDerWaalsContact NE2-CB 3.29Å; Q221-C306 PolarHBondContact NE2-SG 3.17Å; Q221-C306 VanDerWaalsContact OE1-N 3.13Å; Q304-C306 PolarHBondContact O-N 3.23Å; C306-V308 VanDerWaalsContact C-N 3.32Å; C306-E309 PolarHBondContact O-N 3.12Å; C306-Q310 WeakPolarHBondContact O-CB 3.42Å; C306-Q310 VanDerWaalsContact O-CG 3.26Å; C306-Q310 WeakPolarHBondContact O-CG 3.33Å; C306-Q310 PolarHBondContact O-N 3.42Å; C306-M337 VanDerWaalsContact CA-CE 3.42Å; C306-M337 HydrophobicContact CB-CE 4.15Å; C306-M337 VanDerWaalsContact SG-CE 3.54Å |
| 307 | S | 71 | Confident | 72.5 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -33.6 | 175.1 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | I238 Q304 S305 L311 | I238-S307 WeakPolarHBondContact CD1-OG 3.2Å; Q304-S307 PolarHBondContact O-N 3.2Å; S305-S307 VanDerWaalsContact C-N 3.31Å; S305-S307 PolarHBondContact O-N 3.35Å; S307-L311 WeakPolarHBondContact O-CB 3.09Å; S307-L311 PolarHBondContact O-N 2.88Å |
| 308 | V | 77.8 | Confident | 72.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -46.3 | 173.6 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | F296 L299 Q304 S305 C306 L311 G312 V330 | F296-V308 HydrophobicContact CD1-CG1 3.81Å; F296-V308 HydrophobicContact CE1-CG1 4.13Å; L299-V308 HydrophobicContact CB-CG2 3.38Å; L299-V308 HydrophobicContact CD1-CG2 4.4Å; Q304-V308 PolarHBondContact O-N 3.2Å; S305-V308 WeakPolarHBondContact O-CB 3.46Å; S305-V308 PolarHBondContact O-N 3.2Å; C306-V308 VanDerWaalsContact C-N 3.32Å; V308-L311 PolarHBondContact O-N 3.37Å; V308-G312 PolarHBondContact O-N 3.19Å; V308-V330 HydrophobicContact CG1-CG2 4.43Å |
| 309 | E | 78.3 | Confident | 71.7 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 178.1 | -176.7 | -172.5 | 178.6 | 0 | 0 | 111.4 | S305 C306 L311 G312 H313 L334 M337 R339 | S305-E309 PolarHBondContact O-N 2.8Å; C306-E309 PolarHBondContact O-N 3.12Å; E309-L311 PolarHBondContact O-N 2.82Å; E309-G312 WeakPolarHBondContact O-CA 3.14Å; E309-G312 PolarHBondContact O-N 3.08Å; E309-G312 VanDerWaalsContact O-N 3.16Å; E309-H313 PolarHBondContact O-N 3.29Å; E309-L334 HydrophobicContact CG-CD2 4.43Å; E309-M337 HydrophobicContact CB-CE 4.16Å; E309-M337 WeakPolarHBondContact OE2-CE 3.4Å; E309-R339 IonicContact OE1-CZ 2.71Å; E309-R339 IonicContact OE1-NH1 2.72Å; E309-R339 PolarHBondContact OE1-NH1 3.36Å; E309-R339 IonicContact OE2-NH1 3.93Å |
| 310 | Q | 73.9 | Confident | 71.2 | Confident | 105 Ų | 105 | 46.1 Ų | 46.1 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 178 | -73.1 | 173.8 | -6.4 | 0 | 0 | 112 | C306 G312 H313 I314 | C306-Q310 WeakPolarHBondContact O-CB 3.42Å; C306-Q310 VanDerWaalsContact O-CG 3.26Å; C306-Q310 WeakPolarHBondContact O-CG 3.33Å; C306-Q310 PolarHBondContact O-N 3.42Å; Q310-G312 VanDerWaalsContact C-N 3.32Å; Q310-G312 PolarHBondContact O-N 2.95Å; Q310-H313 PolarHBondContact O-N 3.49Å; Q310-I314 WeakPolarHBondContact O-CD1 3.41Å; Q310-I314 VanDerWaalsContact O-CG1 3.24Å; Q310-I314 WeakPolarHBondContact O-CG1 3.05Å; Q310-I314 PolarHBondContact O-N 3.06Å; Q310-I314 VanDerWaalsContact O-N 3.1Å |
| 311 | L | 74.6 | Confident | 70.8 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 176.4 | -176.1 | 59.3 | 0 | 0 | 0 | 111.5 | W214 V295 F296 L299 S307 V308 E309 L315 | W214-L311 HydrophobicContact CD2-CD1 4.04Å; W214-L311 HydrophobicContact CE3-CD1 3.92Å; W214-L311 HydrophobicContact CH2-CB 4.25Å; W214-L311 HydrophobicContact CH2-CD1 3.55Å; W214-L311 HydrophobicContact CH2-CD2 3.79Å; W214-L311 HydrophobicContact CH2-CG 4.05Å; W214-L311 HydrophobicContact CZ2-CB 3.66Å; W214-L311 HydrophobicContact CZ2-CD1 3.64Å; W214-L311 HydrophobicContact CZ2-CD2 4.05Å; W214-L311 HydrophobicContact CZ2-CG 3.96Å; W214-L311 HydrophobicContact CZ3-CD1 3.68Å; V295-L311 HydrophobicContact CB-CD2 4.28Å; V295-L311 HydrophobicContact CG1-CD2 3.82Å; F296-L311 HydrophobicContact CD2-CD2 3.79Å; F296-L311 HydrophobicContact CD2-CG 4.44Å; F296-L311 HydrophobicContact CE1-CB 4.39Å; F296-L311 HydrophobicContact CE1-CD2 4.29Å; F296-L311 HydrophobicContact CE1-CG 4.27Å; F296-L311 HydrophobicContact CE2-CD2 3.5Å; F296-L311 VanDerWaalsContact CE2-CD2 3.5Å; F296-L311 HydrophobicContact CE2-CG 3.65Å; F296-L311 HydrophobicContact CG-CD2 4.31Å; F296-L311 HydrophobicContact CZ-CB 4.06Å; F296-L311 HydrophobicContact CZ-CD2 3.76Å; F296-L311 HydrophobicContact CZ-CG 3.54Å; L299-L311 HydrophobicContact CD1-CD2 4.18Å; S307-L311 WeakPolarHBondContact O-CB 3.09Å; S307-L311 PolarHBondContact O-N 2.88Å; V308-L311 PolarHBondContact O-N 3.37Å; E309-L311 PolarHBondContact O-N 2.82Å; L311-L315 HydrophobicContact CD1-CD1 3.61Å; L311-L315 HydrophobicContact CD1-CG 4.06Å; L311-L315 HydrophobicContact CG-CD1 3.81Å; L311-L315 WeakPolarHBondContact O-CB 3.34Å; L311-L315 VanDerWaalsContact O-CG 3.24Å; L311-L315 WeakPolarHBondContact O-CG 3.35Å; L311-L315 PolarHBondContact O-N 3.33Å; L311-L315 VanDerWaalsContact O-N 3.12Å |
| 312 | G | 74.9 | Confident | 70.5 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.9 | -54.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V308 E309 Q310 I314 L315 E316 | V308-G312 PolarHBondContact O-N 3.19Å; E309-G312 WeakPolarHBondContact O-CA 3.14Å; E309-G312 PolarHBondContact O-N 3.08Å; E309-G312 VanDerWaalsContact O-N 3.16Å; Q310-G312 VanDerWaalsContact C-N 3.32Å; Q310-G312 PolarHBondContact O-N 2.95Å; G312-I314 PolarHBondContact O-N 2.88Å; G312-L315 PolarHBondContact O-N 3.39Å; G312-E316 WeakPolarHBondContact O-CB 3.24Å; G312-E316 PolarHBondContact O-N 2.65Å |
| 313 | H | 74.2 | Confident | 70.7 | Confident | 91 Ų | 91 | 45.4 Ų | 45.4 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.4 | -40.9 | -179.3 | -81.8 | -53.6 | 0 | 0 | 0 | 113.7 | E309 Q310 L315 E316 Y346 | E309-H313 PolarHBondContact O-N 3.29Å; Q310-H313 PolarHBondContact O-N 3.49Å; H313-L315 VanDerWaalsContact C-N 3.3Å; H313-L315 PolarHBondContact O-N 3.4Å; H313-E316 IonicContact ND1-OE2 3.61Å; H313-Y346 PolarHBondContact CE1-OH 3Å |
| 314 | I | 69.1 | Low | 70.7 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 178.4 | -67.2 | 165.3 | 0 | 0 | 0 | 110.5 | W214 Q310 G312 W318 | W214-I314 HydrophobicContact CB-CD1 3.94Å; W214-I314 HydrophobicContact CG-CD1 3.71Å; Q310-I314 WeakPolarHBondContact O-CD1 3.41Å; Q310-I314 VanDerWaalsContact O-CG1 3.24Å; Q310-I314 WeakPolarHBondContact O-CG1 3.05Å; Q310-I314 PolarHBondContact O-N 3.06Å; Q310-I314 VanDerWaalsContact O-N 3.1Å; G312-I314 PolarHBondContact O-N 2.88Å; I314-W318 HydrophobicContact CG2-CZ3 4.47Å |
| 315 | L | 70 | Confident | 70.8 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -84.6 | -20.3 | -176.8 | -66.3 | 176.9 | 0 | 0 | 0 | 114.2 | P288 C292 F296 L311 G312 H313 S317 W318 C319 | P288-L315 HydrophobicContact CB-CD2 3.86Å; P288-L315 HydrophobicContact CG-CD2 3.85Å; C292-L315 HydrophobicContact CB-CD1 4.25Å; F296-L315 HydrophobicContact CE2-CD1 3.63Å; F296-L315 HydrophobicContact CZ-CD1 3.97Å; L311-L315 HydrophobicContact CD1-CD1 3.61Å; L311-L315 HydrophobicContact CD1-CG 4.06Å; L311-L315 HydrophobicContact CG-CD1 3.81Å; L311-L315 WeakPolarHBondContact O-CB 3.34Å; L311-L315 VanDerWaalsContact O-CG 3.24Å; L311-L315 WeakPolarHBondContact O-CG 3.35Å; L311-L315 PolarHBondContact O-N 3.33Å; L311-L315 VanDerWaalsContact O-N 3.12Å; G312-L315 PolarHBondContact O-N 3.39Å; H313-L315 VanDerWaalsContact C-N 3.3Å; H313-L315 PolarHBondContact O-N 3.4Å; L315-S317 PolarHBondContact O-N 3.19Å; L315-S317 VanDerWaalsContact O-N 3.14Å; L315-W318 PolarHBondContact O-N 2.88Å; L315-C319 HydrophobicContact CB-CB 4.27Å; L315-C319 HydrophobicContact CD2-CB 4.36Å; L315-C319 PolarHBondContact O-N 2.91Å; L315-C319 VanDerWaalsContact O-N 3.08Å |
| 316 | E | 67.9 | Low | 70.8 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.7 | -32.5 | -176.5 | -167.5 | 172.9 | -178.2 | 0 | 0 | 112.5 | G312 H313 F323 R349 | G312-E316 WeakPolarHBondContact O-CB 3.24Å; G312-E316 PolarHBondContact O-N 2.65Å; H313-E316 IonicContact ND1-OE2 3.61Å; E316-F323 HydrophobicContact CG-CE2 4.3Å; E316-R349 IonicContact OE1-CZ 3.98Å; E316-R349 IonicContact OE1-NH1 2.93Å; E316-R349 PolarHBondContact OE1-NH1 2.58Å; E316-R349 IonicContact OE1-NH2 3.97Å; E316-R349 PolarHBondContact OE1-NH2 2.66Å |
| 317 | S | 62.7 | Low | 71.2 | Confident | 77 Ų | 77 | 37 Ų | 37 | 54% | 0.538 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -19.7 | -175.3 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | L315 | L315-S317 PolarHBondContact O-N 3.19Å; L315-S317 VanDerWaalsContact O-N 3.14Å |
| 318 | W | 62.3 | Low | 71.8 | Confident | 94 Ų | 94 | 37.9 Ų | 37.9 | 36% | 0.356 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | -11.5 | -166 | -49.4 | -37 | 0 | 0 | 0 | 115.9 | C77 A210 I314 L315 | C77-W318 WeakPolarHBondContact O-CH2 3.19Å; A210-W318 HydrophobicContact CB-CH2 4.01Å; A210-W318 HydrophobicContact CB-CZ3 3.69Å; I314-W318 HydrophobicContact CG2-CZ3 4.47Å; L315-W318 PolarHBondContact O-N 2.88Å |
| 319 | C | 62.9 | Low | 72.1 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | trans | -113.2 | 120.4 | -175.2 | -170 | 0 | 0 | 0 | 0 | 112 | P288 L315 R326 | P288-C319 HydrophobicContact CB-CB 4.5Å; P288-C319 PolarHBondContact O-SG 3.48Å; L315-C319 HydrophobicContact CB-CB 4.27Å; L315-C319 HydrophobicContact CD2-CB 4.36Å; L315-C319 PolarHBondContact O-N 2.91Å; L315-C319 VanDerWaalsContact O-N 3.08Å; C319-R326 PolarHBondContact O-NH2 3.29Å; C319-R326 PolarHBondContact SG-NH1 3.36Å | ||
| 320 | S | 63.7 | Low | 72.4 | Confident | 104 Ų | 104 | 37.7 Ų | 37.7 | 73% | 0.727 | 20% | 0.202 | S | C | * | . | trans | -93.3 | -33.8 | -178.1 | 59.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 321 | P | 64.9 | Low | 73.1 | Confident | 68 Ų | 68 | 32.7 Ų | 32.7 | 44% | 0.442 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 138.3 | -176.7 | -16.6 | 30 | 0 | 0 | 0 | 111.7 | F323 R326 | P321-F323 PolarHBondContact O-N 2.95Å; P321-R326 PolarHBondContact O-NH1 2.86Å; P321-R326 PolarHBondContact O-NH2 3.41Å |
| 322 | A | 66.8 | Low | 73.6 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 8% | 0.083 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 39 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L293 L325 R326 E358 | L293-A322 HydrophobicContact CD1-CB 3.46Å; L293-A322 VanDerWaalsContact CD1-CB 3.46Å; L293-A322 HydrophobicContact CD2-CB 3.96Å; L293-A322 HydrophobicContact CG-CB 3.87Å; A322-L325 HydrophobicContact CB-CB 4.43Å; A322-L325 HydrophobicContact CB-CD1 4.44Å; A322-R326 PolarHBondContact O-N 3.46Å; A322-E358 WeakPolarHBondContact CA-OE1 3.31Å; A322-E358 PolarHBondContact N-OE1 2.94Å |
| 323 | F | 73.5 | Confident | 74 | Confident | 63 Ų | 63 | 32.8 Ų | 32.8 | 28% | 0.276 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.7 | -48.7 | -177.8 | -178.9 | -112.5 | 0 | 0 | 0 | 112 | E316 P321 L325 R326 I327 D353 | E316-F323 HydrophobicContact CG-CE2 4.3Å; P321-F323 PolarHBondContact O-N 2.95Å; F323-L325 VanDerWaalsContact C-N 3.33Å; F323-L325 PolarHBondContact O-N 2.94Å; F323-R326 PolarHBondContact O-N 3.4Å; F323-R326 VanDerWaalsContact O-N 3.14Å; F323-I327 HydrophobicContact CD1-CD1 3.79Å; F323-I327 HydrophobicContact CD2-CD1 4.17Å; F323-I327 HydrophobicContact CE1-CD1 3.26Å; F323-I327 HydrophobicContact CE1-CG1 4.5Å; F323-I327 HydrophobicContact CE2-CD1 3.7Å; F323-I327 HydrophobicContact CE2-CG1 4.35Å; F323-I327 HydrophobicContact CG-CD1 4.22Å; F323-I327 HydrophobicContact CZ-CD1 3.23Å; F323-I327 HydrophobicContact CZ-CG1 4.33Å; F323-I327 PolarHBondContact O-N 2.99Å; F323-D353 VanDerWaalsContact CD1-OD2 3.26Å; F323-D353 WeakPolarHBondContact CD1-OD2 3.35Å |
| 324 | G | 71.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F328 D353 | G324-F328 WeakPolarHBondContact O-CB 3.44Å; G324-F328 PolarHBondContact O-N 3.37Å; G324-D353 WeakPolarHBondContact CA-OD2 3.31Å; G324-D353 PolarHBondContact N-OD2 2.78Å |
| 325 | L | 74.4 | Confident | 75.5 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 174.3 | -87.5 | 163.3 | 0 | 0 | 0 | 113.4 | L293 A322 F323 F328 Y329 L360 L361 K364 | L293-L325 HydrophobicContact CD2-CB 3.79Å; L293-L325 HydrophobicContact CD2-CD1 4.07Å; L293-L325 HydrophobicContact CD2-CG 4.48Å; A322-L325 HydrophobicContact CB-CB 4.43Å; A322-L325 HydrophobicContact CB-CD1 4.44Å; F323-L325 VanDerWaalsContact C-N 3.33Å; F323-L325 PolarHBondContact O-N 2.94Å; L325-F328 PolarHBondContact O-N 3.43Å; L325-Y329 HydrophobicContact CD2-CE2 4.47Å; L325-Y329 WeakPolarHBondContact O-CD2 3.39Å; L325-Y329 PolarHBondContact O-N 3.18Å; L325-L360 HydrophobicContact CD1-CB 3.44Å; L325-L360 VanDerWaalsContact CD1-CB 3.44Å; L325-L361 HydrophobicContact CD1-CB 4.42Å; L325-L361 HydrophobicContact CD2-CB 4.21Å; L325-L361 HydrophobicContact CD2-CD1 3.44Å; L325-L361 VanDerWaalsContact CD2-CD1 3.44Å; L325-L361 HydrophobicContact CD2-CG 4.41Å; L325-L361 HydrophobicContact CG-CB 3.98Å; L325-L361 HydrophobicContact CG-CD1 3.7Å; L325-L361 HydrophobicContact CG-CG 4.41Å; L325-K364 HydrophobicContact CD2-CD 4.47Å |
| 326 | R | 77 | Confident | 76 | Confident | 8 Ų | 8 | 30.9 Ų | 30.9 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 176.2 | -77.1 | -165.6 | -69.5 | -84.3 | -9.4 | 111.3 | F296 C319 P321 A322 F323 F328 Y329 V330 | F296-R326 HydrophobicContact CD2-CG 4.02Å; F296-R326 HydrophobicContact CE1-CB 4.41Å; F296-R326 HydrophobicContact CE1-CG 4.4Å; F296-R326 VanDerWaalsContact CE2-CD 3.49Å; F296-R326 HydrophobicContact CE2-CG 3.71Å; F296-R326 HydrophobicContact CG-CG 4.48Å; F296-R326 HydrophobicContact CZ-CB 4.28Å; F296-R326 HydrophobicContact CZ-CG 3.92Å; C319-R326 PolarHBondContact O-NH2 3.29Å; C319-R326 PolarHBondContact SG-NH1 3.36Å; P321-R326 PolarHBondContact O-NH1 2.86Å; P321-R326 PolarHBondContact O-NH2 3.41Å; A322-R326 PolarHBondContact O-N 3.46Å; F323-R326 PolarHBondContact O-N 3.4Å; F323-R326 VanDerWaalsContact O-N 3.14Å; R326-F328 VanDerWaalsContact C-N 3.27Å; R326-F328 PolarHBondContact O-N 2.86Å; R326-Y329 PolarHBondContact O-N 2.94Å; R326-Y329 VanDerWaalsContact O-N 3.13Å; R326-V330 WeakPolarHBondContact O-CG2 3.26Å; R326-V330 PolarHBondContact O-N 3.29Å |
| 327 | I | 83.2 | Confident | 76.7 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | 177.9 | -69.3 | -179.3 | 0 | 0 | 0 | 110.4 | F323 Y329 V330 G331 Y346 R349 A350 | F323-I327 HydrophobicContact CD1-CD1 3.79Å; F323-I327 HydrophobicContact CD2-CD1 4.17Å; F323-I327 HydrophobicContact CE1-CD1 3.26Å; F323-I327 HydrophobicContact CE1-CG1 4.5Å; F323-I327 HydrophobicContact CE2-CD1 3.7Å; F323-I327 HydrophobicContact CE2-CG1 4.35Å; F323-I327 HydrophobicContact CG-CD1 4.22Å; F323-I327 HydrophobicContact CZ-CD1 3.23Å; F323-I327 HydrophobicContact CZ-CG1 4.33Å; F323-I327 PolarHBondContact O-N 2.99Å; I327-Y329 PolarHBondContact O-N 2.84Å; I327-V330 PolarHBondContact O-N 2.92Å; I327-G331 PolarHBondContact O-N 3.38Å; I327-Y346 HydrophobicContact CB-CD1 4.28Å; I327-Y346 HydrophobicContact CG1-CD1 4.48Å; I327-Y346 HydrophobicContact CG2-CD1 3.56Å; I327-Y346 HydrophobicContact CG2-CG 4.19Å; I327-Y346 WeakPolarHBondContact CG2-O 3.39Å; I327-R349 HydrophobicContact CD1-CB 4.44Å; I327-R349 HydrophobicContact CG2-CB 4.03Å; I327-A350 HydrophobicContact CB-CB 4.47Å; I327-A350 HydrophobicContact CG2-CB 4.04Å |
| 328 | F | 83.7 | Confident | 77.6 | Confident | 21 Ų | 21 | 29 Ų | 29 | 9% | 0.092 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 173.7 | 179.2 | -96.3 | 0 | 0 | 0 | 112.2 | G324 L325 R326 V330 G331 C332 F347 A350 L361 L365 L384 | G324-F328 WeakPolarHBondContact O-CB 3.44Å; G324-F328 PolarHBondContact O-N 3.37Å; L325-F328 PolarHBondContact O-N 3.43Å; R326-F328 VanDerWaalsContact C-N 3.27Å; R326-F328 PolarHBondContact O-N 2.86Å; F328-V330 VanDerWaalsContact C-N 3.34Å; F328-V330 PolarHBondContact O-N 3.43Å; F328-G331 PolarHBondContact O-N 3.37Å; F328-C332 PolarHBondContact O-N 3.04Å; F328-C332 PolarHBondContact O-SG 3.21Å; F328-C332 VanDerWaalsContact O-SG 3.4Å; F328-F347 AromaticContact CD2-CD1 3.86Å; F328-F347 HydrophobicContact CD2-CD1 3.86Å; F328-F347 AromaticContact CD2-CE1 3.81Å; F328-F347 HydrophobicContact CD2-CE1 3.81Å; F328-F347 HydrophobicContact CE2-CD1 4.08Å; F328-F347 AromaticContact CE2-CE1 3.77Å; F328-F347 HydrophobicContact CE2-CE1 3.77Å; F328-A350 HydrophobicContact CB-CB 4.25Å; F328-L361 HydrophobicContact CB-CD1 4.28Å; F328-L361 HydrophobicContact CG-CD1 4.39Å; F328-L365 HydrophobicContact CD2-CD2 4.46Å; F328-L365 HydrophobicContact CE1-CD2 4.1Å; F328-L365 HydrophobicContact CE2-CD2 3.69Å; F328-L365 HydrophobicContact CZ-CD2 3.48Å; F328-L365 VanDerWaalsContact CZ-CD2 3.48Å; F328-L384 HydrophobicContact CZ-CD1 4.23Å |
| 329 | Y | 84.1 | Confident | 78.8 | Confident | 20 Ų | 20 | 30.6 Ų | 30.6 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -36.1 | 175.2 | -81 | -61.6 | 0 | 0 | 0 | 113.2 | F296 E297 L325 R326 I327 C332 S333 K364 | F296-Y329 HydrophobicContact CB-CD2 3.91Å; F296-Y329 HydrophobicContact CB-CG 4.13Å; E297-Y329 HydrophobicContact CG-CE2 4.03Å; L325-Y329 HydrophobicContact CD2-CE2 4.47Å; L325-Y329 WeakPolarHBondContact O-CD2 3.39Å; L325-Y329 PolarHBondContact O-N 3.18Å; R326-Y329 PolarHBondContact O-N 2.94Å; R326-Y329 VanDerWaalsContact O-N 3.13Å; I327-Y329 PolarHBondContact O-N 2.84Å; Y329-C332 PolarHBondContact O-N 3.41Å; Y329-S333 PolarHBondContact O-N 3.5Å; Y329-S333 PolarHBondContact O-OG 3.28Å; Y329-K364 VanDerWaalsContact OH-CD 3.29Å; Y329-K364 WeakPolarHBondContact OH-CD 3.47Å; Y329-K364 WeakPolarHBondContact OH-CE 3.46Å; Y329-K364 PolarHBondContact OH-NZ 2.87Å |
| 330 | V | 85.6 | Confident | 80 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 172.9 | 177 | 0 | 0 | 0 | 0 | 110.4 | F296 V308 R326 I327 F328 C332 S333 L334 Y346 | F296-V330 HydrophobicContact CE1-CG2 4.21Å; V308-V330 HydrophobicContact CG1-CG2 4.43Å; R326-V330 WeakPolarHBondContact O-CG2 3.26Å; R326-V330 PolarHBondContact O-N 3.29Å; I327-V330 PolarHBondContact O-N 2.92Å; F328-V330 VanDerWaalsContact C-N 3.34Å; F328-V330 PolarHBondContact O-N 3.43Å; V330-C332 PolarHBondContact O-N 3.26Å; V330-S333 WeakPolarHBondContact CA-OG 3.3Å; V330-S333 PolarHBondContact O-N 3.44Å; V330-S333 VanDerWaalsContact O-N 3.13Å; V330-S333 PolarHBondContact O-OG 3.3Å; V330-L334 HydrophobicContact CG1-CD1 3.95Å; V330-L334 HydrophobicContact CG1-CG 4.35Å; V330-L334 WeakPolarHBondContact O-CB 3.5Å; V330-L334 VanDerWaalsContact O-CG 3.31Å; V330-L334 WeakPolarHBondContact O-CG 3.21Å; V330-L334 PolarHBondContact O-N 3.48Å; V330-Y346 HydrophobicContact CB-CD1 3.82Å; V330-Y346 HydrophobicContact CB-CE1 4.04Å; V330-Y346 HydrophobicContact CG1-CD1 3.57Å; V330-Y346 HydrophobicContact CG1-CD2 4.42Å; V330-Y346 HydrophobicContact CG1-CE1 3.48Å; V330-Y346 VanDerWaalsContact CG1-CE1 3.48Å; V330-Y346 HydrophobicContact CG1-CE2 4.31Å; V330-Y346 HydrophobicContact CG1-CG 4.1Å |
| 331 | G | 86.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I327 F328 S333 L334 L335 A343 | I327-G331 PolarHBondContact O-N 3.38Å; F328-G331 PolarHBondContact O-N 3.37Å; G331-S333 PolarHBondContact O-N 3.17Å; G331-L334 PolarHBondContact O-N 3.03Å; G331-L335 WeakPolarHBondContact O-CB 3.37Å; G331-L335 PolarHBondContact O-N 3.41Å; G331-A343 WeakPolarHBondContact O-CB 3.29Å |
| 332 | C | 85.3 | Confident | 82.1 | Confident | 19 Ų | 19 | 33.8 Ų | 33.8 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 173.7 | -70.5 | 0 | 0 | 0 | 0 | 113 | F328 Y329 V330 L335 Q336 | F328-C332 PolarHBondContact O-N 3.04Å; F328-C332 PolarHBondContact O-SG 3.21Å; F328-C332 VanDerWaalsContact O-SG 3.4Å; Y329-C332 PolarHBondContact O-N 3.41Å; V330-C332 PolarHBondContact O-N 3.26Å; C332-L335 WeakPolarHBondContact O-CB 3.33Å; C332-L335 PolarHBondContact O-N 2.84Å; C332-Q336 WeakPolarHBondContact O-CG 3.37Å; C332-Q336 PolarHBondContact O-N 3.25Å; C332-Q336 VanDerWaalsContact O-N 3.1Å |
| 333 | S | 84.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.5 | -38.7 | 176.7 | 62.7 | 0 | 0 | 0 | 0 | 112.4 | S305 Y329 V330 G331 L335 Q336 M337 | S305-S333 WeakPolarHBondContact O-CB 3.49Å; Y329-S333 PolarHBondContact O-N 3.5Å; Y329-S333 PolarHBondContact O-OG 3.28Å; V330-S333 WeakPolarHBondContact CA-OG 3.3Å; V330-S333 PolarHBondContact O-N 3.44Å; V330-S333 VanDerWaalsContact O-N 3.13Å; V330-S333 PolarHBondContact O-OG 3.3Å; G331-S333 PolarHBondContact O-N 3.17Å; S333-L335 VanDerWaalsContact C-N 3.35Å; S333-Q336 PolarHBondContact O-N 3.23Å; S333-M337 WeakPolarHBondContact O-CG 3.4Å; S333-M337 PolarHBondContact O-N 2.87Å; S333-M337 VanDerWaalsContact O-N 3.09Å |
| 334 | L | 87.3 | Confident | 83.8 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.4 | -38.1 | 176.2 | -71.4 | 168.6 | 0 | 0 | 0 | 111.2 | E309 V330 G331 M337 G338 R339 A342 A343 Y346 | E309-L334 HydrophobicContact CG-CD2 4.43Å; V330-L334 HydrophobicContact CG1-CD1 3.95Å; V330-L334 HydrophobicContact CG1-CG 4.35Å; V330-L334 WeakPolarHBondContact O-CB 3.5Å; V330-L334 VanDerWaalsContact O-CG 3.31Å; V330-L334 WeakPolarHBondContact O-CG 3.21Å; V330-L334 PolarHBondContact O-N 3.48Å; G331-L334 PolarHBondContact O-N 3.03Å; L334-M337 PolarHBondContact O-N 3.15Å; L334-M337 VanDerWaalsContact O-N 3.16Å; L334-G338 PolarHBondContact O-N 2.75Å; L334-R339 HydrophobicContact CB-CB 4.33Å; L334-R339 HydrophobicContact CD2-CB 4.15Å; L334-R339 PolarHBondContact O-N 3.03Å; L334-A342 HydrophobicContact CD1-CB 3.91Å; L334-A342 HydrophobicContact CD2-CB 4.45Å; L334-A343 HydrophobicContact CB-CB 3.9Å; L334-Y346 HydrophobicContact CD1-CD2 3.44Å; L334-Y346 VanDerWaalsContact CD1-CD2 3.44Å; L334-Y346 HydrophobicContact CD1-CE2 3.7Å; L334-Y346 HydrophobicContact CD1-CG 4.09Å |
| 335 | L | 86.9 | Confident | 84.6 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 172.5 | -174.1 | 78.7 | 0 | 0 | 0 | 110.9 | G331 C332 S333 M337 G338 F340 A343 L384 F385 E388 | G331-L335 WeakPolarHBondContact O-CB 3.37Å; G331-L335 PolarHBondContact O-N 3.41Å; C332-L335 WeakPolarHBondContact O-CB 3.33Å; C332-L335 PolarHBondContact O-N 2.84Å; S333-L335 VanDerWaalsContact C-N 3.35Å; L335-M337 VanDerWaalsContact C-N 3.25Å; L335-M337 PolarHBondContact O-N 3.03Å; L335-G338 PolarHBondContact O-N 2.9Å; L335-F340 HydrophobicContact CD1-CD1 4.02Å; L335-F340 HydrophobicContact CD1-CE1 4.39Å; L335-A343 HydrophobicContact CB-CB 4.12Å; L335-L384 HydrophobicContact CD2-CB 3.94Å; L335-F385 HydrophobicContact CD1-CD1 3.15Å; L335-F385 HydrophobicContact CD1-CE1 3.23Å; L335-F385 HydrophobicContact CD1-CG 3.89Å; L335-F385 HydrophobicContact CD1-CZ 4.02Å; L335-E388 HydrophobicContact CD2-CG 3.87Å; L335-E388 HydrophobicContact CG-CB 4.4Å; L335-E388 HydrophobicContact CG-CG 3.91Å |
| 336 | Q | 81.3 | Confident | 85.2 | Confident | 71 Ų | 71 | 36.9 Ų | 36.9 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.4 | -23.3 | 177.2 | -72.5 | 177.5 | -4.5 | 0 | 0 | 113.9 | S305 C332 S333 G338 | S305-Q336 PolarHBondContact OG-OE1 3.16Å; C332-Q336 WeakPolarHBondContact O-CG 3.37Å; C332-Q336 PolarHBondContact O-N 3.25Å; C332-Q336 VanDerWaalsContact O-N 3.1Å; S333-Q336 PolarHBondContact O-N 3.23Å; Q336-G338 VanDerWaalsContact C-N 3.32Å |
| 337 | M | 81.9 | Confident | 85.7 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 27% | 0.271 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.1 | 173.7 | -69.2 | -176.5 | -149.2 | 0 | 0 | 113.7 | S305 C306 E309 S333 L334 L335 R339 | S305-M337 VanDerWaalsContact CB-CE 3.44Å; S305-M337 WeakPolarHBondContact O-CE 3.36Å; C306-M337 VanDerWaalsContact CA-CE 3.42Å; C306-M337 HydrophobicContact CB-CE 4.15Å; C306-M337 VanDerWaalsContact SG-CE 3.54Å; E309-M337 HydrophobicContact CB-CE 4.16Å; E309-M337 WeakPolarHBondContact OE2-CE 3.4Å; S333-M337 WeakPolarHBondContact O-CG 3.4Å; S333-M337 PolarHBondContact O-N 2.87Å; S333-M337 VanDerWaalsContact O-N 3.09Å; L334-M337 PolarHBondContact O-N 3.15Å; L334-M337 VanDerWaalsContact O-N 3.16Å; L335-M337 VanDerWaalsContact C-N 3.25Å; L335-M337 PolarHBondContact O-N 3.03Å; M337-R339 VanDerWaalsContact C-N 3.32Å; M337-R339 HydrophobicContact CB-CG 4.41Å |
| 338 | G | 82.7 | Confident | 85.8 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 40% | 0.402 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 15.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | L334 L335 Q336 F340 | L334-G338 PolarHBondContact O-N 2.75Å; L335-G338 PolarHBondContact O-N 2.9Å; Q336-G338 VanDerWaalsContact C-N 3.32Å; G338-F340 WeakPolarHBondContact O-CD2 3.19Å; G338-F340 PolarHBondContact O-N 2.81Å |
| 339 | R | 87.1 | Confident | 85.7 | Confident | 128 Ų | 128 | 42.8 Ų | 42.8 | 48% | 0.483 | 21% | 0.212 | S | C | . | . | trans | -91.3 | 69.2 | 174.8 | -65.1 | -175.4 | -177.7 | 171.9 | 6 | 110.3 | E309 L334 M337 E341 A342 A343 | E309-R339 IonicContact OE1-CZ 2.71Å; E309-R339 IonicContact OE1-NH1 2.72Å; E309-R339 PolarHBondContact OE1-NH1 3.36Å; E309-R339 IonicContact OE2-NH1 3.93Å; L334-R339 HydrophobicContact CB-CB 4.33Å; L334-R339 HydrophobicContact CD2-CB 4.15Å; L334-R339 PolarHBondContact O-N 3.03Å; M337-R339 VanDerWaalsContact C-N 3.32Å; M337-R339 HydrophobicContact CB-CG 4.41Å; R339-E341 PolarHBondContact O-N 3.44Å; R339-A342 HydrophobicContact CB-CB 4.36Å; R339-A342 PolarHBondContact O-N 3.18Å; R339-A343 WeakPolarHBondContact O-CB 3.23Å; R339-A343 PolarHBondContact O-N 2.5Å | ||
| 340 | F | 87.6 | Confident | 85.5 | Confident | 61 Ų | 61 | 41.9 Ų | 41.9 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.6 | -41.6 | -168.3 | -55.4 | -63.4 | 0 | 0 | 0 | 114.8 | L335 G338 A343 M344 F385 C390 M393 | L335-F340 HydrophobicContact CD1-CD1 4.02Å; L335-F340 HydrophobicContact CD1-CE1 4.39Å; G338-F340 WeakPolarHBondContact O-CD2 3.19Å; G338-F340 PolarHBondContact O-N 2.81Å; F340-A343 WeakPolarHBondContact O-CB 3.27Å; F340-A343 PolarHBondContact O-N 2.92Å; F340-M344 PolarHBondContact O-N 2.76Å; F340-F385 HydrophobicContact CB-CE1 4.04Å; F340-F385 HydrophobicContact CD1-CD1 4.08Å; F340-F385 HydrophobicContact CD1-CE1 4.08Å; F340-C390 HydrophobicContact CD1-CB 3.7Å; F340-C390 HydrophobicContact CD2-CB 4.16Å; F340-C390 HydrophobicContact CE1-CB 3.63Å; F340-C390 HydrophobicContact CE2-CB 4.09Å; F340-C390 HydrophobicContact CG-CB 3.98Å; F340-C390 HydrophobicContact CZ-CB 3.83Å; F340-M393 HydrophobicContact CB-CE 4.39Å |
| 341 | E | 86.2 | Confident | 85 | Confident | 152 Ų | 152 | 44.6 Ų | 44.6 | 71% | 0.71 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.6 | -47.5 | 179.4 | -66.4 | -178.4 | 167.7 | 0 | 0 | 111.7 | R339 A343 M344 D345 M393 | R339-E341 PolarHBondContact O-N 3.44Å; E341-A343 VanDerWaalsContact C-N 3.3Å; E341-A343 PolarHBondContact O-N 2.96Å; E341-M344 WeakPolarHBondContact O-CB 3.3Å; E341-M344 PolarHBondContact O-N 3.04Å; E341-M344 VanDerWaalsContact O-N 3.13Å; E341-D345 PolarHBondContact O-N 2.81Å; E341-M393 HydrophobicContact CG-CE 4.02Å |
| 342 | A | 86.7 | Confident | 84.3 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L334 R339 M344 D345 Y346 | L334-A342 HydrophobicContact CD1-CB 3.91Å; L334-A342 HydrophobicContact CD2-CB 4.45Å; R339-A342 HydrophobicContact CB-CB 4.36Å; R339-A342 PolarHBondContact O-N 3.18Å; A342-M344 VanDerWaalsContact C-N 3.29Å; A342-M344 PolarHBondContact O-N 2.99Å; A342-D345 PolarHBondContact O-N 3.4Å; A342-Y346 VanDerWaalsContact O-CD2 3.26Å; A342-Y346 WeakPolarHBondContact O-CD2 3.31Å; A342-Y346 PolarHBondContact O-N 3.39Å |
| 343 | A | 89.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.6 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G331 L334 L335 R339 F340 E341 Y346 F347 F385 | G331-A343 WeakPolarHBondContact O-CB 3.29Å; L334-A343 HydrophobicContact CB-CB 3.9Å; L335-A343 HydrophobicContact CB-CB 4.12Å; R339-A343 WeakPolarHBondContact O-CB 3.23Å; R339-A343 PolarHBondContact O-N 2.5Å; F340-A343 WeakPolarHBondContact O-CB 3.27Å; F340-A343 PolarHBondContact O-N 2.92Å; E341-A343 VanDerWaalsContact C-N 3.3Å; E341-A343 PolarHBondContact O-N 2.96Å; A343-Y346 PolarHBondContact O-N 2.83Å; A343-F347 HydrophobicContact CB-CD2 4.46Å; A343-F347 HydrophobicContact CB-CE2 4.07Å; A343-F347 WeakPolarHBondContact O-CD2 3.45Å; A343-F347 VanDerWaalsContact O-CG 3.29Å; A343-F347 WeakPolarHBondContact O-CG 3.25Å; A343-F347 PolarHBondContact O-N 2.93Å; A343-F385 HydrophobicContact CB-CE1 4.35Å; A343-F385 HydrophobicContact CB-CZ 4.18Å |
| 344 | M | 86.9 | Confident | 82.2 | Confident | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.054 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.2 | 178.4 | 65.8 | 82 | 0 | 0 | 112 | F340 E341 A342 Y346 F347 N348 F385 M393 N396 C397 | F340-M344 PolarHBondContact O-N 2.76Å; E341-M344 WeakPolarHBondContact O-CB 3.3Å; E341-M344 PolarHBondContact O-N 3.04Å; E341-M344 VanDerWaalsContact O-N 3.13Å; A342-M344 VanDerWaalsContact C-N 3.29Å; A342-M344 PolarHBondContact O-N 2.99Å; M344-Y346 VanDerWaalsContact C-N 3.34Å; M344-Y346 PolarHBondContact O-N 2.95Å; M344-F347 PolarHBondContact O-N 3.3Å; M344-N348 WeakPolarHBondContact O-CB 3.39Å; M344-N348 VanDerWaalsContact O-CG 3.28Å; M344-N348 PolarHBondContact O-N 3.25Å; M344-N348 PolarHBondContact O-ND2 2.75Å; M344-F385 HydrophobicContact CB-CZ 4.11Å; M344-F385 HydrophobicContact CE-CE2 3.95Å; M344-F385 HydrophobicContact CE-CZ 4.4Å; M344-F385 HydrophobicContact SD-CE2 4.45Å; M344-M393 HydrophobicContact CB-CG 4.33Å; M344-M393 HydrophobicContact CB-SD 4.12Å; M344-M393 HydrophobicContact CE-CG 3.54Å; M344-M393 WeakPolarHBondContact CE-O 3.44Å; M344-M393 HydrophobicContact CE-SD 3.53Å; M344-M393 VanDerWaalsContact CE-SD 3.53Å; M344-M393 HydrophobicContact CG-SD 4.23Å; M344-N396 HydrophobicContact CE-CB 4.22Å; M344-C397 HydrophobicContact CE-CB 4.29Å; M344-C397 WeakPolarHBondContact CE-SG 3.41Å |
| 345 | D | 87.3 | Confident | 81 | Confident | 102 Ų | 102 | 52.1 Ų | 52.1 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 176.4 | -77.6 | -14.5 | 0 | 0 | 0 | 111.9 | E341 A342 N348 R349 | E341-D345 PolarHBondContact O-N 2.81Å; A342-D345 PolarHBondContact O-N 3.4Å; D345-N348 PolarHBondContact O-N 2.79Å; D345-R349 WeakPolarHBondContact O-CB 3.33Å; D345-R349 VanDerWaalsContact O-CG 3.28Å; D345-R349 WeakPolarHBondContact O-CG 3.44Å; D345-R349 PolarHBondContact O-N 2.76Å |
| 346 | Y | 87.3 | Confident | 79.7 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 11% | 0.114 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 175.1 | -82.9 | -95.3 | 0 | 0 | 0 | 111.2 | H313 I327 V330 L334 A342 A343 M344 R349 A350 | H313-Y346 PolarHBondContact CE1-OH 3Å; I327-Y346 HydrophobicContact CB-CD1 4.28Å; I327-Y346 HydrophobicContact CG1-CD1 4.48Å; I327-Y346 HydrophobicContact CG2-CD1 3.56Å; I327-Y346 HydrophobicContact CG2-CG 4.19Å; I327-Y346 WeakPolarHBondContact CG2-O 3.39Å; V330-Y346 HydrophobicContact CB-CD1 3.82Å; V330-Y346 HydrophobicContact CB-CE1 4.04Å; V330-Y346 HydrophobicContact CG1-CD1 3.57Å; V330-Y346 HydrophobicContact CG1-CD2 4.42Å; V330-Y346 HydrophobicContact CG1-CE1 3.48Å; V330-Y346 VanDerWaalsContact CG1-CE1 3.48Å; V330-Y346 HydrophobicContact CG1-CE2 4.31Å; V330-Y346 HydrophobicContact CG1-CG 4.1Å; L334-Y346 HydrophobicContact CD1-CD2 3.44Å; L334-Y346 VanDerWaalsContact CD1-CD2 3.44Å; L334-Y346 HydrophobicContact CD1-CE2 3.7Å; L334-Y346 HydrophobicContact CD1-CG 4.09Å; A342-Y346 VanDerWaalsContact O-CD2 3.26Å; A342-Y346 WeakPolarHBondContact O-CD2 3.31Å; A342-Y346 PolarHBondContact O-N 3.39Å; A343-Y346 PolarHBondContact O-N 2.83Å; M344-Y346 VanDerWaalsContact C-N 3.34Å; M344-Y346 PolarHBondContact O-N 2.95Å; Y346-R349 PolarHBondContact O-N 2.8Å; Y346-A350 WeakPolarHBondContact O-CB 3.43Å; Y346-A350 PolarHBondContact O-N 2.82Å |
| 347 | F | 88 | Confident | 78.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.5 | -42 | 173.8 | -67 | -45.5 | 0 | 0 | 0 | 112.4 | F328 A343 M344 R349 A350 Y351 Y377 I381 F385 | F328-F347 AromaticContact CD2-CD1 3.86Å; F328-F347 HydrophobicContact CD2-CD1 3.86Å; F328-F347 AromaticContact CD2-CE1 3.81Å; F328-F347 HydrophobicContact CD2-CE1 3.81Å; F328-F347 HydrophobicContact CE2-CD1 4.08Å; F328-F347 AromaticContact CE2-CE1 3.77Å; F328-F347 HydrophobicContact CE2-CE1 3.77Å; A343-F347 HydrophobicContact CB-CD2 4.46Å; A343-F347 HydrophobicContact CB-CE2 4.07Å; A343-F347 WeakPolarHBondContact O-CD2 3.45Å; A343-F347 VanDerWaalsContact O-CG 3.29Å; A343-F347 WeakPolarHBondContact O-CG 3.25Å; A343-F347 PolarHBondContact O-N 2.93Å; M344-F347 PolarHBondContact O-N 3.3Å; F347-R349 VanDerWaalsContact C-N 3.32Å; F347-R349 PolarHBondContact O-N 2.9Å; F347-A350 PolarHBondContact O-N 3.01Å; F347-Y351 PolarHBondContact O-N 3.31Å; F347-Y377 PolarHBondContact O-OH 3.04Å; F347-I381 HydrophobicContact CB-CD1 3.9Å; F347-I381 HydrophobicContact CB-CG2 4.35Å; F347-I381 HydrophobicContact CD2-CG2 3.61Å; F347-I381 HydrophobicContact CE2-CG2 4.05Å; F347-I381 HydrophobicContact CG-CD1 4.28Å; F347-I381 HydrophobicContact CG-CG1 4.39Å; F347-I381 HydrophobicContact CG-CG2 4Å; F347-F385 AromaticContact CD2-CE2 3.77Å; F347-F385 HydrophobicContact CD2-CE2 3.77Å; F347-F385 AromaticContact CD2-CZ 3.92Å; F347-F385 HydrophobicContact CD2-CZ 3.92Å; F347-F385 AromaticContact CE2-CE2 3.92Å; F347-F385 HydrophobicContact CE2-CE2 3.92Å; F347-F385 AromaticContact CE2-CZ 3.93Å; F347-F385 HydrophobicContact CE2-CZ 3.93Å |
| 348 | N | 84.4 | Confident | 77.3 | Confident | 54 Ų | 54 | 58.2 Ų | 58.2 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.8 | -32.6 | 175.6 | -70.3 | -29.6 | 0 | 0 | 0 | 112.6 | M344 D345 Y351 | M344-N348 WeakPolarHBondContact O-CB 3.39Å; M344-N348 VanDerWaalsContact O-CG 3.28Å; M344-N348 PolarHBondContact O-N 3.25Å; M344-N348 PolarHBondContact O-ND2 2.75Å; D345-N348 PolarHBondContact O-N 2.79Å; N348-Y351 WeakPolarHBondContact O-CB 3.09Å |
| 349 | R | 82.9 | Confident | 76.2 | Confident | 106 Ų | 106 | 60.7 Ų | 60.7 | 40% | 0.4 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -72 | -39.9 | 172.4 | -70.8 | 175.2 | 74.2 | -167.7 | -0.5 | 111.7 | E316 I327 D345 Y346 F347 Y351 A352 | E316-R349 IonicContact OE1-CZ 3.98Å; E316-R349 IonicContact OE1-NH1 2.93Å; E316-R349 PolarHBondContact OE1-NH1 2.58Å; E316-R349 IonicContact OE1-NH2 3.97Å; E316-R349 PolarHBondContact OE1-NH2 2.66Å; I327-R349 HydrophobicContact CD1-CB 4.44Å; I327-R349 HydrophobicContact CG2-CB 4.03Å; D345-R349 WeakPolarHBondContact O-CB 3.33Å; D345-R349 VanDerWaalsContact O-CG 3.28Å; D345-R349 WeakPolarHBondContact O-CG 3.44Å; D345-R349 PolarHBondContact O-N 2.76Å; Y346-R349 PolarHBondContact O-N 2.8Å; F347-R349 VanDerWaalsContact C-N 3.32Å; F347-R349 PolarHBondContact O-N 2.9Å; R349-Y351 VanDerWaalsContact C-N 3.25Å; R349-Y351 PolarHBondContact O-N 2.78Å; R349-A352 WeakPolarHBondContact O-CB 3.47Å; R349-A352 PolarHBondContact O-N 2.98Å |
| 350 | A | 79.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I327 F328 Y346 F347 A352 D353 V354 | I327-A350 HydrophobicContact CB-CB 4.47Å; I327-A350 HydrophobicContact CG2-CB 4.04Å; F328-A350 HydrophobicContact CB-CB 4.25Å; Y346-A350 WeakPolarHBondContact O-CB 3.43Å; Y346-A350 PolarHBondContact O-N 2.82Å; F347-A350 PolarHBondContact O-N 3.01Å; A350-A352 PolarHBondContact O-N 3.34Å; A350-D353 PolarHBondContact O-N 3.08Å; A350-D353 VanDerWaalsContact O-N 3.12Å; A350-V354 WeakPolarHBondContact O-CG2 3.42Å; A350-V354 PolarHBondContact O-N 3.45Å; A350-V354 VanDerWaalsContact O-N 3.12Å |
| 351 | Y | 75.8 | Confident | 73.7 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.5 | -37 | 173.6 | 171.2 | -102.9 | 0 | 0 | 0 | 113.3 | F347 N348 R349 D353 V354 A355 I374 Y377 F378 | F347-Y351 PolarHBondContact O-N 3.31Å; N348-Y351 WeakPolarHBondContact O-CB 3.09Å; R349-Y351 VanDerWaalsContact C-N 3.25Å; R349-Y351 PolarHBondContact O-N 2.78Å; Y351-D353 PolarHBondContact O-N 2.6Å; Y351-V354 WeakPolarHBondContact O-CB 3.15Å; Y351-V354 PolarHBondContact O-N 3.04Å; Y351-A355 PolarHBondContact O-N 2.92Å; Y351-I374 HydrophobicContact CE2-CG1 4.19Å; Y351-I374 HydrophobicContact CE2-CG2 4.06Å; Y351-Y377 AromaticContact CD2-CD1 3.85Å; Y351-Y377 HydrophobicContact CD2-CD1 3.85Å; Y351-Y377 HydrophobicContact CD2-CE1 4.03Å; Y351-Y377 HydrophobicContact CG-CE1 4.37Å; Y351-F378 HydrophobicContact CD2-CE2 4.09Å; Y351-F378 HydrophobicContact CD2-CZ 4.26Å; Y351-F378 HydrophobicContact CE2-CE2 4Å; Y351-F378 HydrophobicContact CG-CZ 4.47Å |
| 352 | A | 71 | Confident | 72.4 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.1 | -33.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R349 A350 A356 | R349-A352 WeakPolarHBondContact O-CB 3.47Å; R349-A352 PolarHBondContact O-N 2.98Å; A350-A352 PolarHBondContact O-N 3.34Å; A352-A356 PolarHBondContact O-N 3.16Å |
| 353 | D | 65.8 | Low | 71.3 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -87.8 | -26.1 | 177.9 | -72.1 | -16.8 | 0 | 0 | 0 | 113 | F323 G324 A350 Y351 A355 A356 | F323-D353 VanDerWaalsContact CD1-OD2 3.26Å; F323-D353 WeakPolarHBondContact CD1-OD2 3.35Å; G324-D353 WeakPolarHBondContact CA-OD2 3.31Å; G324-D353 PolarHBondContact N-OD2 2.78Å; A350-D353 PolarHBondContact O-N 3.08Å; A350-D353 VanDerWaalsContact O-N 3.12Å; Y351-D353 PolarHBondContact O-N 2.6Å; D353-A355 PolarHBondContact O-N 2.77Å; D353-A356 PolarHBondContact O-N 3.23Å; D353-A356 VanDerWaalsContact O-N 3.11Å |
| 354 | V | 61.1 | Low | 70 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 165.9 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | A350 Y351 A356 L361 Y377 | A350-V354 WeakPolarHBondContact O-CG2 3.42Å; A350-V354 PolarHBondContact O-N 3.45Å; A350-V354 VanDerWaalsContact O-N 3.12Å; Y351-V354 WeakPolarHBondContact O-CB 3.15Å; Y351-V354 PolarHBondContact O-N 3.04Å; V354-A356 VanDerWaalsContact C-N 3.26Å; V354-A356 PolarHBondContact O-N 3.15Å; V354-L361 HydrophobicContact CB-CD2 4.11Å; V354-L361 HydrophobicContact CG2-CD2 3.23Å; V354-L361 HydrophobicContact CG2-CG 4.23Å; V354-Y377 HydrophobicContact CG2-CD2 3.89Å; V354-Y377 HydrophobicContact CG2-CE2 3.65Å |
| 355 | A | 60.2 | Low | 68.8 | Low | 70 Ų | 70 | 57.9 Ų | 57.9 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y351 D353 | Y351-A355 PolarHBondContact O-N 2.92Å; D353-A355 PolarHBondContact O-N 2.77Å |
| 356 | A | 60.6 | Low | 67.5 | Low | 72 Ų | 72 | 61.3 Ų | 61.3 | 60% | 0.595 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 11.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A352 D353 V354 | A352-A356 PolarHBondContact O-N 3.16Å; D353-A356 PolarHBondContact O-N 3.23Å; D353-A356 VanDerWaalsContact O-N 3.11Å; V354-A356 VanDerWaalsContact C-N 3.26Å; V354-A356 PolarHBondContact O-N 3.15Å |
| 357 | E | 54.9 | Low | 66 | Low | 137 Ų | 137 | 61.3 Ų | 61.3 | 64% | 0.64 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 42 | 175.4 | -55.5 | -162.7 | 141.5 | 0 | 0 | 116.9 | S359 R373 | E357-S359 PolarHBondContact O-N 2.79Å; E357-R373 IonicContact OE1-NH1 2.72Å |
| 358 | E | 58.2 | Low | 64.4 | Low | 52 Ų | 52 | 67.3 Ų | 67.3 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | trans | -69.9 | 103.6 | 165.3 | -91 | -165.4 | 160.4 | 0 | 0 | 111.8 | A322 L360 L361 L362 | A322-E358 WeakPolarHBondContact CA-OE1 3.31Å; A322-E358 PolarHBondContact N-OE1 2.94Å; E358-L360 PolarHBondContact O-N 3.49Å; E358-L360 VanDerWaalsContact O-N 3.11Å; E358-L361 HydrophobicContact CB-CB 4.32Å; E358-L361 PolarHBondContact O-N 2.77Å; E358-L361 VanDerWaalsContact O-N 3.1Å; E358-L362 PolarHBondContact O-N 2.82Å | ||
| 359 | S | 58.5 | Low | 62.9 | Low | 92 Ų | 92 | 71.1 Ų | 71.1 | 64% | 0.643 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -56.6 | -28.4 | -178.4 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | E357 A363 | E357-S359 PolarHBondContact O-N 2.79Å; S359-A363 WeakPolarHBondContact O-CB 3.27Å; S359-A363 PolarHBondContact O-N 3.39Å |
| 360 | L | 59.8 | Low | 61.5 | Low | 104 Ų | 104 | 72.6 Ų | 72.6 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.1 | -35.1 | 179.2 | -80.5 | 132.7 | 0 | 0 | 0 | 112.7 | L325 E358 K364 | L325-L360 HydrophobicContact CD1-CB 3.44Å; L325-L360 VanDerWaalsContact CD1-CB 3.44Å; E358-L360 PolarHBondContact O-N 3.49Å; E358-L360 VanDerWaalsContact O-N 3.11Å; L360-K364 WeakPolarHBondContact O-CB 3.4Å; L360-K364 PolarHBondContact O-N 2.75Å |
| 361 | L | 62.3 | Low | 60.3 | Low | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.9 | -43.6 | -179.2 | -173 | 68.1 | 0 | 0 | 0 | 111.2 | L325 F328 V354 E358 A363 K364 L365 | L325-L361 HydrophobicContact CD1-CB 4.42Å; L325-L361 HydrophobicContact CD2-CB 4.21Å; L325-L361 HydrophobicContact CD2-CD1 3.44Å; L325-L361 VanDerWaalsContact CD2-CD1 3.44Å; L325-L361 HydrophobicContact CD2-CG 4.41Å; L325-L361 HydrophobicContact CG-CB 3.98Å; L325-L361 HydrophobicContact CG-CD1 3.7Å; L325-L361 HydrophobicContact CG-CG 4.41Å; F328-L361 HydrophobicContact CB-CD1 4.28Å; F328-L361 HydrophobicContact CG-CD1 4.39Å; V354-L361 HydrophobicContact CB-CD2 4.11Å; V354-L361 HydrophobicContact CG2-CD2 3.23Å; V354-L361 HydrophobicContact CG2-CG 4.23Å; E358-L361 HydrophobicContact CB-CB 4.32Å; E358-L361 PolarHBondContact O-N 2.77Å; E358-L361 VanDerWaalsContact O-N 3.1Å; L361-A363 PolarHBondContact O-N 2.87Å; L361-K364 PolarHBondContact O-N 2.85Å; L361-L365 HydrophobicContact CD1-CD1 4.07Å; L361-L365 HydrophobicContact CG-CD1 3.86Å; L361-L365 WeakPolarHBondContact O-CG 3.47Å; L361-L365 PolarHBondContact O-N 3.28Å |
| 362 | L | 60.7 | Low | 59.7 | Low | 43 Ų | 43 | 80.2 Ų | 80.2 | 23% | 0.225 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 175.4 | -75.6 | 160.2 | 0 | 0 | 0 | 112.3 | E358 K364 L367 | E358-L362 PolarHBondContact O-N 2.82Å; L362-K364 VanDerWaalsContact C-N 3.27Å; L362-K364 PolarHBondContact O-N 3.05Å; L362-L367 HydrophobicContact CD2-CD1 4.31Å |
| 363 | A | 62 | Low | 59.4 | Low | 79 Ų | 79 | 83.4 Ų | 83.4 | 65% | 0.653 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.6 | -32.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | S359 L361 | S359-A363 WeakPolarHBondContact O-CB 3.27Å; S359-A363 PolarHBondContact O-N 3.39Å; L361-A363 PolarHBondContact O-N 2.87Å |
| 364 | K | 62.9 | Low | 59.7 | Low | 85 Ų | 85 | 83.8 Ų | 83.8 | 37% | 0.37 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -84.1 | -31.4 | -176.3 | -157.1 | 143.8 | -155.2 | -174.5 | 0 | 114.2 | E297 L325 Y329 L360 L361 L362 Q366 | E297-K364 IonicContact OE1-NZ 3.64Å; E297-K364 PolarHBondContact OE1-NZ 3.05Å; E297-K364 IonicContact OE2-NZ 2.67Å; E297-K364 PolarHBondContact OE2-NZ 3.04Å; L325-K364 HydrophobicContact CD2-CD 4.47Å; Y329-K364 VanDerWaalsContact OH-CD 3.29Å; Y329-K364 WeakPolarHBondContact OH-CD 3.47Å; Y329-K364 WeakPolarHBondContact OH-CE 3.46Å; Y329-K364 PolarHBondContact OH-NZ 2.87Å; L360-K364 WeakPolarHBondContact O-CB 3.4Å; L360-K364 PolarHBondContact O-N 2.75Å; L361-K364 PolarHBondContact O-N 2.85Å; L362-K364 VanDerWaalsContact C-N 3.27Å; L362-K364 PolarHBondContact O-N 3.05Å; K364-Q366 VanDerWaalsContact C-N 3.26Å; K364-Q366 PolarHBondContact O-N 3.21Å |
| 365 | L | 60.9 | Low | 60.3 | Low | 17 Ų | 17 | 83.3 Ų | 83.3 | 9% | 0.089 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -3.6 | 178.3 | -69 | 169.2 | 0 | 0 | 0 | 113.8 | F328 L361 L367 Y377 | F328-L365 HydrophobicContact CD2-CD2 4.46Å; F328-L365 HydrophobicContact CE1-CD2 4.1Å; F328-L365 HydrophobicContact CE2-CD2 3.69Å; F328-L365 HydrophobicContact CZ-CD2 3.48Å; F328-L365 VanDerWaalsContact CZ-CD2 3.48Å; L361-L365 HydrophobicContact CD1-CD1 4.07Å; L361-L365 HydrophobicContact CG-CD1 3.86Å; L361-L365 WeakPolarHBondContact O-CG 3.47Å; L361-L365 PolarHBondContact O-N 3.28Å; L365-L367 HydrophobicContact CB-CD1 3.95Å; L365-L367 HydrophobicContact CB-CD2 4.46Å; L365-L367 HydrophobicContact CB-CG 3.73Å; L365-L367 HydrophobicContact CD1-CD1 4.04Å; L365-L367 PolarHBondContact O-N 3.06Å; L365-L367 VanDerWaalsContact O-N 3.11Å; L365-Y377 HydrophobicContact CD1-CD2 3.92Å; L365-Y377 HydrophobicContact CD1-CE2 4.03Å |
| 366 | Q | 60 | Low | 61.1 | Low | 173 Ų | 173 | 81 Ų | 81 | 81% | 0.808 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 33.6 | -178 | -61.8 | -175.7 | -15.1 | 0 | 0 | 113.3 | K364 N368 | K364-Q366 VanDerWaalsContact C-N 3.26Å; K364-Q366 PolarHBondContact O-N 3.21Å; Q366-N368 PolarHBondContact O-N 3.17Å; Q366-N368 VanDerWaalsContact O-N 3.12Å |
| 367 | L | 56.7 | Low | 62 | Low | 30 Ų | 30 | 77.7 Ų | 77.7 | 16% | 0.157 | 40% | 0.398 | C | S | . | . | trans | -72 | 109.5 | -179.6 | -63.1 | 171.4 | 0 | 0 | 0 | 108.8 | L362 L365 L369 A376 | L362-L367 HydrophobicContact CD2-CD1 4.31Å; L365-L367 HydrophobicContact CB-CD1 3.95Å; L365-L367 HydrophobicContact CB-CD2 4.46Å; L365-L367 HydrophobicContact CB-CG 3.73Å; L365-L367 HydrophobicContact CD1-CD1 4.04Å; L365-L367 PolarHBondContact O-N 3.06Å; L365-L367 VanDerWaalsContact O-N 3.11Å; L367-L369 PolarHBondContact O-N 3.18Å; L367-A376 HydrophobicContact CD2-CB 3.78Å; L367-A376 WeakPolarHBondContact CD2-O 3.25Å | ||
| 368 | N | 54.7 | Low | 63.4 | Low | 126 Ų | 126 | 71.4 Ų | 71.4 | 67% | 0.674 | 37% | 0.368 | S | S | * | . | trans | -62.5 | 128 | 169.9 | -81.7 | -19 | 0 | 0 | 0 | 108.9 | Q366 D370 | Q366-N368 PolarHBondContact O-N 3.17Å; Q366-N368 VanDerWaalsContact O-N 3.12Å; N368-D370 PolarHBondContact O-N 3.27Å | ||
| 369 | L | 52.5 | Low | 64.6 | Low | 134 Ų | 134 | 69.8 Ų | 69.8 | 70% | 0.702 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 8.7 | -173.6 | -72.3 | 162.7 | 0 | 0 | 0 | 114.6 | L367 | L367-L369 PolarHBondContact O-N 3.18Š|
| 370 | D | 54.4 | Low | 65.8 | Low | 136 Ų | 136 | 68.7 Ų | 68.7 | 73% | 0.727 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -3.1 | -170.3 | -65.2 | -25.6 | 0 | 0 | 0 | 113.8 | N368 | N368-D370 PolarHBondContact O-N 3.27Š|
| 371 | Y | 54.3 | Low | 67.1 | Low | 165 Ų | 165 | 63.9 Ų | 63.9 | 65% | 0.647 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -131.6 | 147.1 | 176.4 | -64.5 | -87.1 | 0 | 0 | 0 | 110.8 | R373 | Y371-R373 PolarHBondContact O-N 3.42Š|
| 372 | L | 62 | Low | 68.3 | Low | 55 Ų | 55 | 63.8 Ų | 63.8 | 29% | 0.288 | 32% | 0.32 | S | S | . | . | trans | -38 | 111.7 | 176.1 | -84 | 137.7 | 0 | 0 | 0 | 109.9 | I374 V375 A376 H407 D409 | L372-I374 PolarHBondContact O-N 3.25Å; L372-V375 HydrophobicContact CB-CG2 4.12Å; L372-V375 PolarHBondContact O-N 2.74Å; L372-A376 PolarHBondContact O-N 3.1Å; L372-H407 HydrophobicContact CD1-CB 3.82Å; L372-H407 HydrophobicContact CD2-CB 4.02Å; L372-D409 HydrophobicContact CD1-CB 4.12Å | ||
| 373 | R | 66.1 | Low | 69.5 | Low | 129 Ų | 129 | 64.6 Ų | 64.6 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -47.3 | -33.2 | -168.9 | -64.5 | 176.3 | -177.8 | 175.2 | -0.6 | 112.9 | E357 Y371 Y377 | E357-R373 IonicContact OE1-NH1 2.72Å; Y371-R373 PolarHBondContact O-N 3.42Å; R373-Y377 WeakPolarHBondContact O-CB 3.37Å; R373-Y377 PolarHBondContact O-N 3.3Å; R373-Y377 VanDerWaalsContact O-N 3.14Å |
| 374 | I | 70.6 | Confident | 70.7 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.4 | -51.6 | 177.8 | -58.4 | 173.9 | 0 | 0 | 0 | 111.5 | Y351 L372 A376 Y377 F378 A404 | Y351-I374 HydrophobicContact CE2-CG1 4.19Å; Y351-I374 HydrophobicContact CE2-CG2 4.06Å; L372-I374 PolarHBondContact O-N 3.25Å; I374-A376 VanDerWaalsContact C-N 3.33Å; I374-A376 PolarHBondContact O-N 2.92Å; I374-Y377 PolarHBondContact O-N 3.49Å; I374-F378 HydrophobicContact CG2-CD2 3.97Å; I374-F378 HydrophobicContact CG2-CE2 3.96Å; I374-F378 WeakPolarHBondContact O-CD2 2.9Å; I374-F378 PolarHBondContact O-N 2.97Å; I374-F378 VanDerWaalsContact O-N 3.14Å; I374-A404 HydrophobicContact CG2-CB 3.75Å |
| 375 | V | 75.2 | Confident | 72 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | -179.7 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | L372 Y377 F378 V379 D405 L414 | L372-V375 HydrophobicContact CB-CG2 4.12Å; L372-V375 PolarHBondContact O-N 2.74Å; V375-Y377 VanDerWaalsContact C-N 3.34Å; V375-Y377 PolarHBondContact O-N 2.95Å; V375-F378 PolarHBondContact O-N 3.18Å; V375-V379 HydrophobicContact CG1-CG2 4.15Å; V375-V379 WeakPolarHBondContact O-CB 3.06Å; V375-V379 WeakPolarHBondContact O-CG2 3.39Å; V375-V379 PolarHBondContact O-N 2.95Å; V375-D405 HydrophobicContact CG2-CB 4.04Å; V375-D405 WeakPolarHBondContact CG2-OD2 3.44Å; V375-L414 HydrophobicContact CG1-CD1 4.18Å; V375-L414 HydrophobicContact CG1-CD2 4.04Å; V375-L414 HydrophobicContact CG1-CG 3.98Å; V375-L414 HydrophobicContact CG2-CD1 4.33Å |
| 376 | A | 76 | Confident | 73.3 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L367 L372 I374 K380 | L367-A376 HydrophobicContact CD2-CB 3.78Å; L367-A376 WeakPolarHBondContact CD2-O 3.25Å; L372-A376 PolarHBondContact O-N 3.1Å; I374-A376 VanDerWaalsContact C-N 3.33Å; I374-A376 PolarHBondContact O-N 2.92Å; A376-K380 WeakPolarHBondContact O-CB 3.49Å; A376-K380 PolarHBondContact O-N 3.04Å; A376-K380 VanDerWaalsContact O-N 3.1Å |
| 377 | Y | 79.8 | Confident | 74.5 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -53.6 | 175.5 | 178 | -106.8 | 0 | 0 | 0 | 112.2 | F347 Y351 V354 L365 R373 I374 V375 V379 K380 I381 | F347-Y377 PolarHBondContact O-OH 3.04Å; Y351-Y377 AromaticContact CD2-CD1 3.85Å; Y351-Y377 HydrophobicContact CD2-CD1 3.85Å; Y351-Y377 HydrophobicContact CD2-CE1 4.03Å; Y351-Y377 HydrophobicContact CG-CE1 4.37Å; V354-Y377 HydrophobicContact CG2-CD2 3.89Å; V354-Y377 HydrophobicContact CG2-CE2 3.65Å; L365-Y377 HydrophobicContact CD1-CD2 3.92Å; L365-Y377 HydrophobicContact CD1-CE2 4.03Å; R373-Y377 WeakPolarHBondContact O-CB 3.37Å; R373-Y377 PolarHBondContact O-N 3.3Å; R373-Y377 VanDerWaalsContact O-N 3.14Å; I374-Y377 PolarHBondContact O-N 3.49Å; V375-Y377 VanDerWaalsContact C-N 3.34Å; V375-Y377 PolarHBondContact O-N 2.95Å; Y377-V379 PolarHBondContact O-N 2.96Å; Y377-K380 WeakPolarHBondContact O-CB 3.04Å; Y377-K380 PolarHBondContact O-N 3.48Å; Y377-K380 VanDerWaalsContact O-N 3.13Å; Y377-I381 HydrophobicContact CD1-CD1 3.59Å; Y377-I381 HydrophobicContact CD2-CD1 4.35Å; Y377-I381 HydrophobicContact CE1-CD1 3.08Å; Y377-I381 HydrophobicContact CE1-CG1 4.29Å; Y377-I381 HydrophobicContact CE2-CD1 3.94Å; Y377-I381 HydrophobicContact CE2-CG1 4.41Å; Y377-I381 HydrophobicContact CG-CD1 4.2Å; Y377-I381 WeakPolarHBondContact O-CG1 3.2Å; Y377-I381 PolarHBondContact O-N 3.17Å |
| 378 | F | 84.6 | Confident | 75.7 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.2 | -33.9 | -178.7 | -77.9 | -69.1 | 0 | 0 | 0 | 113.3 | Y351 I374 V375 K380 I381 A382 C397 N400 A401 A404 | Y351-F378 HydrophobicContact CD2-CE2 4.09Å; Y351-F378 HydrophobicContact CD2-CZ 4.26Å; Y351-F378 HydrophobicContact CE2-CE2 4Å; Y351-F378 HydrophobicContact CG-CZ 4.47Å; I374-F378 HydrophobicContact CG2-CD2 3.97Å; I374-F378 HydrophobicContact CG2-CE2 3.96Å; I374-F378 WeakPolarHBondContact O-CD2 2.9Å; I374-F378 PolarHBondContact O-N 2.97Å; I374-F378 VanDerWaalsContact O-N 3.14Å; V375-F378 PolarHBondContact O-N 3.18Å; F378-K380 VanDerWaalsContact C-N 3.29Å; F378-K380 PolarHBondContact O-N 3.28Å; F378-I381 HydrophobicContact CD1-CD1 4.32Å; F378-I381 PolarHBondContact O-N 3.05Å; F378-A382 VanDerWaalsContact O-CB 3.26Å; F378-A382 WeakPolarHBondContact O-CB 3.3Å; F378-A382 PolarHBondContact O-N 3.18Å; F378-C397 HydrophobicContact CD1-CB 4.45Å; F378-N400 HydrophobicContact CD1-CB 4.47Å; F378-N400 HydrophobicContact CE1-CB 4.02Å; F378-N400 HydrophobicContact CZ-CB 4.29Å; F378-A401 HydrophobicContact CB-CB 3.54Å; F378-A401 HydrophobicContact CD2-CB 3.77Å; F378-A401 HydrophobicContact CG-CB 3.81Å; F378-A404 HydrophobicContact CE2-CB 4.35Å |
| 379 | V | 82.6 | Confident | 77 | Confident | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 171.9 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | V375 Y377 A382 E383 L414 | V375-V379 HydrophobicContact CG1-CG2 4.15Å; V375-V379 WeakPolarHBondContact O-CB 3.06Å; V375-V379 WeakPolarHBondContact O-CG2 3.39Å; V375-V379 PolarHBondContact O-N 2.95Å; Y377-V379 PolarHBondContact O-N 2.96Å; V379-A382 PolarHBondContact O-N 2.92Å; V379-E383 WeakPolarHBondContact O-CG 3.46Å; V379-E383 PolarHBondContact O-N 3.24Å; V379-L414 HydrophobicContact CG2-CD2 3.85Å |
| 380 | K | 83.1 | Confident | 78.6 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 177 | -173.3 | 54.8 | 176.8 | 167.4 | 0 | 112.1 | A376 Y377 F378 E383 L384 | A376-K380 WeakPolarHBondContact O-CB 3.49Å; A376-K380 PolarHBondContact O-N 3.04Å; A376-K380 VanDerWaalsContact O-N 3.1Å; Y377-K380 WeakPolarHBondContact O-CB 3.04Å; Y377-K380 PolarHBondContact O-N 3.48Å; Y377-K380 VanDerWaalsContact O-N 3.13Å; F378-K380 VanDerWaalsContact C-N 3.29Å; F378-K380 PolarHBondContact O-N 3.28Å; K380-E383 WeakPolarHBondContact O-CB 3.44Å; K380-E383 PolarHBondContact O-N 2.67Å; K380-L384 WeakPolarHBondContact O-CG 3.37Å; K380-L384 PolarHBondContact O-N 2.79Å |
| 381 | I | 87.4 | Confident | 80.1 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 174.8 | -61.3 | 162.9 | 0 | 0 | 0 | 111 | F347 Y377 F378 E383 L384 F385 C397 | F347-I381 HydrophobicContact CB-CD1 3.9Å; F347-I381 HydrophobicContact CB-CG2 4.35Å; F347-I381 HydrophobicContact CD2-CG2 3.61Å; F347-I381 HydrophobicContact CE2-CG2 4.05Å; F347-I381 HydrophobicContact CG-CD1 4.28Å; F347-I381 HydrophobicContact CG-CG1 4.39Å; F347-I381 HydrophobicContact CG-CG2 4Å; Y377-I381 HydrophobicContact CD1-CD1 3.59Å; Y377-I381 HydrophobicContact CD2-CD1 4.35Å; Y377-I381 HydrophobicContact CE1-CD1 3.08Å; Y377-I381 HydrophobicContact CE1-CG1 4.29Å; Y377-I381 HydrophobicContact CE2-CD1 3.94Å; Y377-I381 HydrophobicContact CE2-CG1 4.41Å; Y377-I381 HydrophobicContact CG-CD1 4.2Å; Y377-I381 WeakPolarHBondContact O-CG1 3.2Å; Y377-I381 PolarHBondContact O-N 3.17Å; F378-I381 HydrophobicContact CD1-CD1 4.32Å; F378-I381 PolarHBondContact O-N 3.05Å; I381-E383 PolarHBondContact O-N 2.92Å; I381-L384 WeakPolarHBondContact O-CB 3.25Å; I381-L384 PolarHBondContact O-N 2.89Å; I381-F385 HydrophobicContact CG2-CD2 3.61Å; I381-F385 HydrophobicContact CG2-CE2 3.46Å; I381-F385 VanDerWaalsContact CG2-CE2 3.46Å; I381-F385 WeakPolarHBondContact O-CD2 3.38Å; I381-F385 PolarHBondContact O-N 3.24Å; I381-C397 VanDerWaalsContact CG2-SG 3.5Å |
| 382 | A | 87.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -35.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F378 V379 A386 S394 C397 Y421 | F378-A382 VanDerWaalsContact O-CB 3.26Å; F378-A382 WeakPolarHBondContact O-CB 3.3Å; F378-A382 PolarHBondContact O-N 3.18Å; V379-A382 PolarHBondContact O-N 2.92Å; A382-A386 VanDerWaalsContact O-CB 3.27Å; A382-A386 WeakPolarHBondContact O-CB 3.46Å; A382-A386 PolarHBondContact O-N 3.12Å; A382-S394 WeakPolarHBondContact O-CB 3.43Å; A382-S394 PolarHBondContact O-OG 3.38Å; A382-C397 HydrophobicContact CB-CB 3.86Å; A382-Y421 HydrophobicContact CB-CE2 4.02Å; A382-Y421 PolarHBondContact O-OH 3.37Å |
| 383 | E | 86.3 | Confident | 82.8 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.4 | -42.5 | 171.3 | -74.1 | 175 | 175.2 | 0 | 0 | 112.5 | V379 K380 I381 A386 E387 K417 | V379-E383 WeakPolarHBondContact O-CG 3.46Å; V379-E383 PolarHBondContact O-N 3.24Å; K380-E383 WeakPolarHBondContact O-CB 3.44Å; K380-E383 PolarHBondContact O-N 2.67Å; I381-E383 PolarHBondContact O-N 2.92Å; E383-A386 PolarHBondContact O-N 2.93Å; E383-A386 VanDerWaalsContact O-N 3.16Å; E383-E387 WeakPolarHBondContact O-CG 3.46Å; E383-E387 PolarHBondContact O-N 3.15Å; E383-K417 IonicContact OE1-NZ 3.72Å; E383-K417 PolarHBondContact OE1-NZ 3.34Å |
| 384 | L | 87.7 | Confident | 83.9 | Confident | 29 Ų | 29 | 36.6 Ų | 36.6 | 15% | 0.152 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 175.5 | -67.9 | 173.8 | 0 | 0 | 0 | 112 | F328 L335 K380 I381 A386 E387 E388 | F328-L384 HydrophobicContact CZ-CD1 4.23Å; L335-L384 HydrophobicContact CD2-CB 3.94Å; K380-L384 WeakPolarHBondContact O-CG 3.37Å; K380-L384 PolarHBondContact O-N 2.79Å; I381-L384 WeakPolarHBondContact O-CB 3.25Å; I381-L384 PolarHBondContact O-N 2.89Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.07Å; L384-E387 PolarHBondContact O-N 3.31Å; L384-E388 PolarHBondContact O-N 2.95Å |
| 385 | F | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -36.4 | 173.8 | -81 | -70.3 | 0 | 0 | 0 | 112.5 | L335 F340 A343 M344 F347 I381 E388 G389 C390 M393 S394 | L335-F385 HydrophobicContact CD1-CD1 3.15Å; L335-F385 HydrophobicContact CD1-CE1 3.23Å; L335-F385 HydrophobicContact CD1-CG 3.89Å; L335-F385 HydrophobicContact CD1-CZ 4.02Å; F340-F385 HydrophobicContact CB-CE1 4.04Å; F340-F385 HydrophobicContact CD1-CD1 4.08Å; F340-F385 HydrophobicContact CD1-CE1 4.08Å; A343-F385 HydrophobicContact CB-CE1 4.35Å; A343-F385 HydrophobicContact CB-CZ 4.18Å; M344-F385 HydrophobicContact CB-CZ 4.11Å; M344-F385 HydrophobicContact CE-CE2 3.95Å; M344-F385 HydrophobicContact CE-CZ 4.4Å; M344-F385 HydrophobicContact SD-CE2 4.45Å; F347-F385 AromaticContact CD2-CE2 3.77Å; F347-F385 HydrophobicContact CD2-CE2 3.77Å; F347-F385 AromaticContact CD2-CZ 3.92Å; F347-F385 HydrophobicContact CD2-CZ 3.92Å; F347-F385 AromaticContact CE2-CE2 3.92Å; F347-F385 HydrophobicContact CE2-CE2 3.92Å; F347-F385 AromaticContact CE2-CZ 3.93Å; F347-F385 HydrophobicContact CE2-CZ 3.93Å; I381-F385 HydrophobicContact CG2-CD2 3.61Å; I381-F385 HydrophobicContact CG2-CE2 3.46Å; I381-F385 VanDerWaalsContact CG2-CE2 3.46Å; I381-F385 WeakPolarHBondContact O-CD2 3.38Å; I381-F385 PolarHBondContact O-N 3.24Å; F385-E388 PolarHBondContact O-N 3.35Å; F385-G389 PolarHBondContact O-N 2.87Å; F385-C390 HydrophobicContact CD1-CB 4.42Å; F385-C390 PolarHBondContact O-N 3.01Å; F385-M393 HydrophobicContact CB-CB 4.42Å; F385-M393 HydrophobicContact CD1-CB 3.6Å; F385-M393 HydrophobicContact CD1-CG 3.74Å; F385-M393 HydrophobicContact CD2-CB 4.29Å; F385-M393 HydrophobicContact CD2-CG 4.17Å; F385-M393 HydrophobicContact CE1-CB 3.83Å; F385-M393 HydrophobicContact CE1-CG 3.42Å; F385-M393 VanDerWaalsContact CE1-CG 3.42Å; F385-M393 HydrophobicContact CE2-CB 4.49Å; F385-M393 HydrophobicContact CE2-CG 3.88Å; F385-M393 HydrophobicContact CG-CB 3.87Å; F385-M393 HydrophobicContact CG-CG 4.13Å; F385-M393 HydrophobicContact CZ-CB 4.29Å; F385-M393 HydrophobicContact CZ-CG 3.5Å; F385-S394 VanDerWaalsContact CB-OG 3.3Å; F385-S394 WeakPolarHBondContact CB-OG 3.32Å |
| 386 | A | 86.8 | Confident | 85.4 | Confident | 26 Ų | 26 | 37 Ų | 37 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72 | -29.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A382 E383 L384 G389 L391 S394 Y421 | A382-A386 VanDerWaalsContact O-CB 3.27Å; A382-A386 WeakPolarHBondContact O-CB 3.46Å; A382-A386 PolarHBondContact O-N 3.12Å; E383-A386 PolarHBondContact O-N 2.93Å; E383-A386 VanDerWaalsContact O-N 3.16Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.07Å; A386-G389 PolarHBondContact O-N 2.83Å; A386-L391 HydrophobicContact CB-CD2 4.02Å; A386-S394 PolarHBondContact N-OG 2.62Å; A386-S394 VanDerWaalsContact N-OG 3.14Å; A386-Y421 HydrophobicContact CB-CD1 4.41Å; A386-Y421 HydrophobicContact CB-CE1 3.69Å |
| 387 | E | 86.1 | Confident | 85.8 | Confident | 140 Ų | 140 | 35.9 Ų | 35.9 | 65% | 0.654 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -67.2 | -36.8 | 173.8 | -76.7 | 174.2 | -171.8 | 0 | 0 | 111.9 | E383 L384 G389 | E383-E387 WeakPolarHBondContact O-CG 3.46Å; E383-E387 PolarHBondContact O-N 3.15Å; L384-E387 PolarHBondContact O-N 3.31Å; E387-G389 VanDerWaalsContact C-N 3.29Å |
| 388 | E | 82.3 | Confident | 86.2 | Confident | 96 Ų | 96 | 35.9 Ų | 35.9 | 45% | 0.449 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.2 | 177 | -62.3 | -67.8 | 166.3 | 0 | 0 | 113.2 | L335 L384 F385 | L335-E388 HydrophobicContact CD2-CG 3.87Å; L335-E388 HydrophobicContact CG-CB 4.4Å; L335-E388 HydrophobicContact CG-CG 3.91Å; L384-E388 PolarHBondContact O-N 2.95Å; F385-E388 PolarHBondContact O-N 3.35Å |
| 389 | G | 81 | Confident | 86.3 | Confident | 58 Ų | 58 | 39.5 Ų | 39.5 | 60% | 0.598 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 4.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | F385 A386 E387 L391 | F385-G389 PolarHBondContact O-N 2.87Å; A386-G389 PolarHBondContact O-N 2.83Å; E387-G389 VanDerWaalsContact C-N 3.29Å; G389-L391 PolarHBondContact O-N 2.84Å |
| 390 | C | 85.5 | Confident | 86.4 | Confident | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | trans | -96.1 | 77.6 | 179.2 | -167.4 | 0 | 0 | 0 | 0 | 111.5 | F340 F385 E392 M393 S394 | F340-C390 HydrophobicContact CD1-CB 3.7Å; F340-C390 HydrophobicContact CD2-CB 4.16Å; F340-C390 HydrophobicContact CE1-CB 3.63Å; F340-C390 HydrophobicContact CE2-CB 4.09Å; F340-C390 HydrophobicContact CG-CB 3.98Å; F340-C390 HydrophobicContact CZ-CB 3.83Å; F385-C390 HydrophobicContact CD1-CB 4.42Å; F385-C390 PolarHBondContact O-N 3.01Å; C390-E392 VanDerWaalsContact C-N 3.33Å; C390-E392 PolarHBondContact O-N 2.93Å; C390-M393 PolarHBondContact O-N 3.41Å; C390-S394 PolarHBondContact O-N 3.21Å; C390-S394 PolarHBondContact O-OG 3.12Å | ||
| 391 | L | 87.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 37.7 Ų | 37.7 | 15% | 0.152 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.3 | -29 | -175.2 | -64.2 | 172.8 | 0 | 0 | 0 | 113.7 | A386 G389 M393 S394 I395 Y421 K424 M425 | A386-L391 HydrophobicContact CB-CD2 4.02Å; G389-L391 PolarHBondContact O-N 2.84Å; L391-M393 VanDerWaalsContact C-N 3.32Å; L391-M393 PolarHBondContact O-N 3.24Å; L391-S394 VanDerWaalsContact O-CB 3.31Å; L391-S394 WeakPolarHBondContact O-CB 3.09Å; L391-S394 PolarHBondContact O-N 2.76Å; L391-I395 WeakPolarHBondContact O-CG1 3.34Å; L391-I395 PolarHBondContact O-N 3.41Å; L391-Y421 HydrophobicContact CD2-CD1 3.88Å; L391-K424 HydrophobicContact CD1-CB 3.6Å; L391-K424 HydrophobicContact CD2-CD 4.35Å; L391-M425 HydrophobicContact CB-CG 3.41Å; L391-M425 VanDerWaalsContact CB-CG 3.41Å; L391-M425 HydrophobicContact CB-SD 3.59Å; L391-M425 VanDerWaalsContact CB-SD 3.59Å; L391-M425 HydrophobicContact CD1-CG 3.54Å; L391-M425 HydrophobicContact CG-CG 4.12Å |
| 392 | E | 86.4 | Confident | 86.1 | Confident | 124 Ų | 124 | 39 Ų | 39 | 58% | 0.579 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60 | -44.9 | 176.2 | -175.3 | -177.6 | 177.4 | 0 | 0 | 111.1 | C390 S394 I395 N396 M425 | C390-E392 VanDerWaalsContact C-N 3.33Å; C390-E392 PolarHBondContact O-N 2.93Å; E392-S394 VanDerWaalsContact C-N 3.32Å; E392-S394 PolarHBondContact O-N 3.19Å; E392-I395 WeakPolarHBondContact O-CB 3.39Å; E392-I395 PolarHBondContact O-N 2.84Å; E392-I395 VanDerWaalsContact O-N 3.12Å; E392-N396 PolarHBondContact O-N 3.41Å; E392-M425 HydrophobicContact CB-SD 4.38Å |
| 393 | M | 85.3 | Confident | 85.8 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.7 | -29.9 | -179.7 | -149.5 | 53.7 | 74.3 | 0 | 0 | 111.4 | F340 E341 M344 F385 C390 L391 I395 N396 C397 | F340-M393 HydrophobicContact CB-CE 4.39Å; E341-M393 HydrophobicContact CG-CE 4.02Å; M344-M393 HydrophobicContact CB-CG 4.33Å; M344-M393 HydrophobicContact CB-SD 4.12Å; M344-M393 HydrophobicContact CE-CG 3.54Å; M344-M393 WeakPolarHBondContact CE-O 3.44Å; M344-M393 HydrophobicContact CE-SD 3.53Å; M344-M393 VanDerWaalsContact CE-SD 3.53Å; M344-M393 HydrophobicContact CG-SD 4.23Å; F385-M393 HydrophobicContact CB-CB 4.42Å; F385-M393 HydrophobicContact CD1-CB 3.6Å; F385-M393 HydrophobicContact CD1-CG 3.74Å; F385-M393 HydrophobicContact CD2-CB 4.29Å; F385-M393 HydrophobicContact CD2-CG 4.17Å; F385-M393 HydrophobicContact CE1-CB 3.83Å; F385-M393 HydrophobicContact CE1-CG 3.42Å; F385-M393 VanDerWaalsContact CE1-CG 3.42Å; F385-M393 HydrophobicContact CE2-CB 4.49Å; F385-M393 HydrophobicContact CE2-CG 3.88Å; F385-M393 HydrophobicContact CG-CB 3.87Å; F385-M393 HydrophobicContact CG-CG 4.13Å; F385-M393 HydrophobicContact CZ-CB 4.29Å; F385-M393 HydrophobicContact CZ-CG 3.5Å; C390-M393 PolarHBondContact O-N 3.41Å; L391-M393 VanDerWaalsContact C-N 3.32Å; L391-M393 PolarHBondContact O-N 3.24Å; M393-I395 VanDerWaalsContact C-N 3.34Å; M393-I395 PolarHBondContact O-N 3.11Å; M393-N396 PolarHBondContact O-N 2.75Å; M393-N396 HydrophobicContact SD-CB 4.2Å; M393-C397 PolarHBondContact O-N 3.45Å; M393-C397 PolarHBondContact O-SG 2.81Å |
| 394 | S | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 168 | -56 | 0 | 0 | 0 | 0 | 112.9 | A382 F385 A386 C390 L391 E392 C397 C398 | A382-S394 WeakPolarHBondContact O-CB 3.43Å; A382-S394 PolarHBondContact O-OG 3.38Å; F385-S394 VanDerWaalsContact CB-OG 3.3Å; F385-S394 WeakPolarHBondContact CB-OG 3.32Å; A386-S394 PolarHBondContact N-OG 2.62Å; A386-S394 VanDerWaalsContact N-OG 3.14Å; C390-S394 PolarHBondContact O-N 3.21Å; C390-S394 PolarHBondContact O-OG 3.12Å; L391-S394 VanDerWaalsContact O-CB 3.31Å; L391-S394 WeakPolarHBondContact O-CB 3.09Å; L391-S394 PolarHBondContact O-N 2.76Å; E392-S394 VanDerWaalsContact C-N 3.32Å; E392-S394 PolarHBondContact O-N 3.19Å; S394-C397 WeakPolarHBondContact O-CB 3.41Å; S394-C397 PolarHBondContact O-N 2.8Å; S394-C398 PolarHBondContact O-N 2.81Å; S394-C398 VanDerWaalsContact O-N 3.12Å; S394-C398 PolarHBondContact O-SG 3.46Å |
| 395 | I | 89.5 | Confident | 84.5 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.7 | -43 | 176.3 | -68.4 | 160.5 | 0 | 0 | 0 | 110.2 | L391 E392 M393 C397 C398 K399 M418 Y421 Y422 M425 | L391-I395 WeakPolarHBondContact O-CG1 3.34Å; L391-I395 PolarHBondContact O-N 3.41Å; E392-I395 WeakPolarHBondContact O-CB 3.39Å; E392-I395 PolarHBondContact O-N 2.84Å; E392-I395 VanDerWaalsContact O-N 3.12Å; M393-I395 VanDerWaalsContact C-N 3.34Å; M393-I395 PolarHBondContact O-N 3.11Å; I395-C397 VanDerWaalsContact C-N 3.31Å; I395-C397 PolarHBondContact O-N 2.78Å; I395-C398 WeakPolarHBondContact O-CB 3.28Å; I395-C398 PolarHBondContact O-N 3.03Å; I395-K399 HydrophobicContact CG2-CD 4.24Å; I395-K399 HydrophobicContact CG2-CG 4.45Å; I395-K399 WeakPolarHBondContact O-CG 3.48Å; I395-K399 PolarHBondContact O-N 2.79Å; I395-M418 HydrophobicContact CG2-CE 4.26Å; I395-Y421 HydrophobicContact CG1-CD2 4.34Å; I395-Y421 HydrophobicContact CG1-CG 4.41Å; I395-Y422 HydrophobicContact CD1-CD1 3.7Å; I395-Y422 HydrophobicContact CD1-CD2 4.46Å; I395-Y422 HydrophobicContact CD1-CE1 3.72Å; I395-Y422 HydrophobicContact CD1-CE2 4.45Å; I395-Y422 HydrophobicContact CD1-CG 4.09Å; I395-Y422 HydrophobicContact CG2-CE1 4.36Å; I395-Y422 HydrophobicContact CG2-CE2 4.11Å; I395-M425 HydrophobicContact CD1-CE 3.3Å; I395-M425 HydrophobicContact CD1-SD 4.15Å |
| 396 | N | 87 | Confident | 83.4 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 174.8 | -71.7 | -17.9 | 0 | 0 | 0 | 111.7 | M344 E392 M393 C398 K399 N400 | M344-N396 HydrophobicContact CE-CB 4.22Å; E392-N396 PolarHBondContact O-N 3.41Å; M393-N396 PolarHBondContact O-N 2.75Å; M393-N396 HydrophobicContact SD-CB 4.2Å; N396-C398 VanDerWaalsContact C-N 3.32Å; N396-C398 PolarHBondContact O-N 3.29Å; N396-K399 PolarHBondContact O-N 3.33Å; N396-N400 WeakPolarHBondContact O-CB 3.4Å; N396-N400 PolarHBondContact O-N 3.24Å; N396-N400 PolarHBondContact O-OD1 3.43Å |
| 397 | C | 85.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 170.3 | -72 | 0 | 0 | 0 | 0 | 111.9 | M344 F378 I381 A382 M393 S394 I395 N400 A401 | M344-C397 HydrophobicContact CE-CB 4.29Å; M344-C397 WeakPolarHBondContact CE-SG 3.41Å; F378-C397 HydrophobicContact CD1-CB 4.45Å; I381-C397 VanDerWaalsContact CG2-SG 3.5Å; A382-C397 HydrophobicContact CB-CB 3.86Å; M393-C397 PolarHBondContact O-N 3.45Å; M393-C397 PolarHBondContact O-SG 2.81Å; S394-C397 WeakPolarHBondContact O-CB 3.41Å; S394-C397 PolarHBondContact O-N 2.8Å; I395-C397 VanDerWaalsContact C-N 3.31Å; I395-C397 PolarHBondContact O-N 2.78Å; C397-N400 PolarHBondContact O-N 3.14Å; C397-A401 WeakPolarHBondContact O-CB 3.29Å; C397-A401 PolarHBondContact O-N 2.78Å |
| 398 | C | 87.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 179.2 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | S394 I395 N396 A401 L402 L414 M418 | S394-C398 PolarHBondContact O-N 2.81Å; S394-C398 VanDerWaalsContact O-N 3.12Å; S394-C398 PolarHBondContact O-SG 3.46Å; I395-C398 WeakPolarHBondContact O-CB 3.28Å; I395-C398 PolarHBondContact O-N 3.03Å; N396-C398 VanDerWaalsContact C-N 3.32Å; N396-C398 PolarHBondContact O-N 3.29Å; C398-A401 WeakPolarHBondContact O-CB 3.28Å; C398-A401 PolarHBondContact O-N 3.3Å; C398-L402 WeakPolarHBondContact O-CG 3.4Å; C398-L402 PolarHBondContact O-N 2.72Å; C398-L414 HydrophobicContact CB-CD2 4.38Å; C398-M418 HydrophobicContact CB-CG 3.35Å; C398-M418 HydrophobicContact CB-SD 3.69Å |
| 399 | K | 87.6 | Confident | 81 | Confident | 82 Ų | 82 | 60 Ų | 60 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 174.1 | -72.1 | 179 | 177.1 | 177.7 | 0 | 111.7 | I395 N396 A401 L402 Q403 M418 Y422 | I395-K399 HydrophobicContact CG2-CD 4.24Å; I395-K399 HydrophobicContact CG2-CG 4.45Å; I395-K399 WeakPolarHBondContact O-CG 3.48Å; I395-K399 PolarHBondContact O-N 2.79Å; N396-K399 PolarHBondContact O-N 3.33Å; K399-A401 VanDerWaalsContact C-N 3.27Å; K399-A401 PolarHBondContact O-N 2.99Å; K399-L402 WeakPolarHBondContact O-CB 3.4Å; K399-L402 PolarHBondContact O-N 3.45Å; K399-Q403 WeakPolarHBondContact O-CG 3.27Å; K399-Q403 PolarHBondContact O-N 2.84Å; K399-M418 HydrophobicContact CG-CE 3.82Å; K399-M418 HydrophobicContact CG-SD 4.4Å; K399-Y422 PolarHBondContact NZ-OH 2.78Å |
| 400 | N | 83.1 | Confident | 80.6 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 173.8 | -69.9 | -5.2 | 0 | 0 | 0 | 111.1 | F378 N396 C397 Q403 A404 | F378-N400 HydrophobicContact CD1-CB 4.47Å; F378-N400 HydrophobicContact CE1-CB 4.02Å; F378-N400 HydrophobicContact CZ-CB 4.29Å; N396-N400 WeakPolarHBondContact O-CB 3.4Å; N396-N400 PolarHBondContact O-N 3.24Å; N396-N400 PolarHBondContact O-OD1 3.43Å; C397-N400 PolarHBondContact O-N 3.14Å; N400-Q403 PolarHBondContact O-N 2.74Å; N400-A404 WeakPolarHBondContact O-CB 3.48Å; N400-A404 PolarHBondContact O-N 3.07Å |
| 401 | A | 82.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F378 C397 C398 K399 Q403 A404 D405 L414 | F378-A401 HydrophobicContact CB-CB 3.54Å; F378-A401 HydrophobicContact CD2-CB 3.77Å; F378-A401 HydrophobicContact CG-CB 3.81Å; C397-A401 WeakPolarHBondContact O-CB 3.29Å; C397-A401 PolarHBondContact O-N 2.78Å; C398-A401 WeakPolarHBondContact O-CB 3.28Å; C398-A401 PolarHBondContact O-N 3.3Å; K399-A401 VanDerWaalsContact C-N 3.27Å; K399-A401 PolarHBondContact O-N 2.99Å; A401-Q403 VanDerWaalsContact C-N 3.29Å; A401-Q403 PolarHBondContact O-N 2.82Å; A401-A404 PolarHBondContact O-N 3.41Å; A401-D405 WeakPolarHBondContact O-CB 3.5Å; A401-D405 PolarHBondContact O-N 2.93Å; A401-L414 HydrophobicContact CB-CD1 3.76Å; A401-L414 HydrophobicContact CB-CD2 3.78Å; A401-L414 HydrophobicContact CB-CG 4.45Å |
| 402 | L | 83.4 | Confident | 80.4 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.2 | -32.5 | 175.9 | -73.7 | 171 | 0 | 0 | 0 | 112.4 | C398 K399 H411 L414 W415 M418 | C398-L402 WeakPolarHBondContact O-CG 3.4Å; C398-L402 PolarHBondContact O-N 2.72Å; K399-L402 WeakPolarHBondContact O-CB 3.4Å; K399-L402 PolarHBondContact O-N 3.45Å; L402-H411 HydrophobicContact CD2-CB 4.01Å; L402-L414 HydrophobicContact CD2-CB 3.98Å; L402-L414 HydrophobicContact CD2-CD1 3.73Å; L402-L414 HydrophobicContact CG-CB 4.25Å; L402-L414 HydrophobicContact CG-CD1 3.95Å; L402-W415 HydrophobicContact CD1-CD2 4.37Å; L402-W415 HydrophobicContact CD1-CH2 4.34Å; L402-W415 HydrophobicContact CD1-CZ2 3.9Å; L402-M418 HydrophobicContact CD1-SD 3.69Å |
| 403 | Q | 81.6 | Confident | 80.4 | Confident | 165 Ų | 165 | 55.7 Ų | 55.7 | 77% | 0.771 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -76.6 | -30.4 | 175.6 | -69.4 | 178.7 | 8.1 | 0 | 0 | 112.6 | K399 N400 A401 | K399-Q403 WeakPolarHBondContact O-CG 3.27Å; K399-Q403 PolarHBondContact O-N 2.84Å; N400-Q403 PolarHBondContact O-N 2.74Å; A401-Q403 VanDerWaalsContact C-N 3.29Å; A401-Q403 PolarHBondContact O-N 2.82Å |
| 404 | A | 74.8 | Confident | 80.5 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -87.8 | -24.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | I374 F378 N400 A401 E406 | I374-A404 HydrophobicContact CG2-CB 3.75Å; F378-A404 HydrophobicContact CE2-CB 4.35Å; N400-A404 WeakPolarHBondContact O-CB 3.48Å; N400-A404 PolarHBondContact O-N 3.07Å; A401-A404 PolarHBondContact O-N 3.41Å; A404-E406 PolarHBondContact O-N 3.2Å |
| 405 | D | 70.9 | Confident | 80.5 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | trans | -84.9 | 108.4 | -179.8 | -172 | 15.2 | 0 | 0 | 0 | 112 | V375 A401 H407 H411 | V375-D405 HydrophobicContact CG2-CB 4.04Å; V375-D405 WeakPolarHBondContact CG2-OD2 3.44Å; A401-D405 WeakPolarHBondContact O-CB 3.5Å; A401-D405 PolarHBondContact O-N 2.93Å; D405-H407 VanDerWaalsContact C-N 3.34Å; D405-H407 PolarHBondContact OD1-N 3.24Å; D405-H407 VanDerWaalsContact OD1-N 3.07Å; D405-H411 PolarHBondContact O-NE2 3.35Å; D405-H411 IonicContact OD2-CD2 2.7Å; D405-H411 IonicContact OD2-NE2 3.5Å | ||
| 406 | E | 67.2 | Low | 80.5 | Confident | 173 Ų | 173 | 57.9 Ų | 57.9 | 81% | 0.808 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -74.6 | -23.7 | 175.7 | -65.1 | -173 | 169.1 | 0 | 0 | 113 | A404 | A404-E406 PolarHBondContact O-N 3.2Š|
| 407 | H | 66.1 | Low | 80.6 | Confident | 119 Ų | 119 | 58 Ų | 58 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -91.7 | -3.6 | -161.9 | -73.1 | -69 | 0 | 0 | 0 | 114.8 | L372 D405 D409 | L372-H407 HydrophobicContact CD1-CB 3.82Å; L372-H407 HydrophobicContact CD2-CB 4.02Å; D405-H407 VanDerWaalsContact C-N 3.34Å; D405-H407 PolarHBondContact OD1-N 3.24Å; D405-H407 VanDerWaalsContact OD1-N 3.07Å; H407-D409 PolarHBondContact O-N 3.02Å |
| 408 | K | 69 | Low | 80.8 | Confident | 155 Ų | 155 | 58.1 Ų | 58.1 | 67% | 0.674 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 57.1 | -16 | 179.8 | -62.9 | -172.1 | 178.6 | -174.8 | 0 | 116.9 | G410 H411 | K408-G410 PolarHBondContact O-N 2.88Å; K408-H411 WeakPolarHBondContact O-CB 3.49Å; K408-H411 PolarHBondContact O-N 3.39Å; K408-H411 VanDerWaalsContact O-N 3.1Å |
| 409 | D | 69.8 | Low | 81 | Confident | 139 Ų | 139 | 58.8 Ų | 58.8 | 74% | 0.743 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.4 | -176.1 | -70.6 | -24.6 | 0 | 0 | 0 | 112.3 | L372 H407 | L372-D409 HydrophobicContact CD1-CB 4.12Å; H407-D409 PolarHBondContact O-N 3.02Å |
| 410 | G | 73.4 | Confident | 81.2 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K408 A412 L413 L414 | K408-G410 PolarHBondContact O-N 2.88Å; G410-A412 VanDerWaalsContact C-N 3.34Å; G410-A412 PolarHBondContact O-N 2.95Å; G410-L413 PolarHBondContact O-N 3.26Å; G410-L413 VanDerWaalsContact O-N 3.16Å; G410-L414 PolarHBondContact O-N 2.77Å; G410-L414 VanDerWaalsContact O-N 3.15Å |
| 411 | H | 84.4 | Confident | 81.6 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | -168.7 | -72 | -157.3 | 0 | 0 | 0 | 112.5 | L402 D405 K408 L413 L414 W415 P439 | L402-H411 HydrophobicContact CD2-CB 4.01Å; D405-H411 PolarHBondContact O-NE2 3.35Å; D405-H411 IonicContact OD2-CD2 2.7Å; D405-H411 IonicContact OD2-NE2 3.5Å; K408-H411 WeakPolarHBondContact O-CB 3.49Å; K408-H411 PolarHBondContact O-N 3.39Å; K408-H411 VanDerWaalsContact O-N 3.1Å; H411-L413 VanDerWaalsContact C-N 3.27Å; H411-L413 PolarHBondContact O-N 3.21Å; H411-L414 PolarHBondContact O-N 2.99Å; H411-W415 WeakPolarHBondContact O-CB 3.5Å; H411-W415 PolarHBondContact O-N 3.41Å; H411-P439 HydrophobicContact CB-CG 4.2Å |
| 412 | A | 84.3 | Confident | 82.1 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -37.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G410 S416 P439 N440 Q443 | G410-A412 VanDerWaalsContact C-N 3.34Å; G410-A412 PolarHBondContact O-N 2.95Å; A412-S416 WeakPolarHBondContact O-CB 3.45Å; A412-S416 PolarHBondContact O-N 3.49Å; A412-S416 VanDerWaalsContact O-N 3.11Å; A412-S416 PolarHBondContact O-OG 3.13Å; A412-P439 HydrophobicContact CB-CG 4.13Å; A412-N440 HydrophobicContact CB-CB 4.39Å; A412-Q443 PolarHBondContact O-OE1 3.15Å |
| 413 | L | 85.3 | Confident | 82.5 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 42% | 0.424 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.2 | -43.6 | 175.9 | -179.4 | 65.9 | 0 | 0 | 0 | 111.3 | G410 H411 S416 K417 | G410-L413 PolarHBondContact O-N 3.26Å; G410-L413 VanDerWaalsContact O-N 3.16Å; H411-L413 VanDerWaalsContact C-N 3.27Å; H411-L413 PolarHBondContact O-N 3.21Å; L413-S416 PolarHBondContact O-N 3.37Å; L413-K417 WeakPolarHBondContact O-CG 3.21Å; L413-K417 PolarHBondContact O-N 3.32Å |
| 414 | L | 87.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 177.7 | -70.9 | 171.7 | 0 | 0 | 0 | 111.5 | V375 V379 C398 A401 L402 G410 H411 S416 K417 M418 | V375-L414 HydrophobicContact CG1-CD1 4.18Å; V375-L414 HydrophobicContact CG1-CD2 4.04Å; V375-L414 HydrophobicContact CG1-CG 3.98Å; V375-L414 HydrophobicContact CG2-CD1 4.33Å; V379-L414 HydrophobicContact CG2-CD2 3.85Å; C398-L414 HydrophobicContact CB-CD2 4.38Å; A401-L414 HydrophobicContact CB-CD1 3.76Å; A401-L414 HydrophobicContact CB-CD2 3.78Å; A401-L414 HydrophobicContact CB-CG 4.45Å; L402-L414 HydrophobicContact CD2-CB 3.98Å; L402-L414 HydrophobicContact CD2-CD1 3.73Å; L402-L414 HydrophobicContact CG-CB 4.25Å; L402-L414 HydrophobicContact CG-CD1 3.95Å; G410-L414 PolarHBondContact O-N 2.77Å; G410-L414 VanDerWaalsContact O-N 3.15Å; H411-L414 PolarHBondContact O-N 2.99Å; L414-S416 VanDerWaalsContact C-N 3.33Å; L414-S416 PolarHBondContact O-N 2.68Å; L414-K417 PolarHBondContact O-N 2.9Å; L414-M418 WeakPolarHBondContact O-CB 3.49Å; L414-M418 WeakPolarHBondContact O-CG 3.29Å; L414-M418 PolarHBondContact O-N 2.8Å |
| 415 | W | 90.8 | Very high | 83.3 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 175.4 | -75.7 | 119.2 | 0 | 0 | 0 | 112.5 | L402 H411 M418 F419 A434 E437 N438 | L402-W415 HydrophobicContact CD1-CD2 4.37Å; L402-W415 HydrophobicContact CD1-CH2 4.34Å; L402-W415 HydrophobicContact CD1-CZ2 3.9Å; H411-W415 WeakPolarHBondContact O-CB 3.5Å; H411-W415 PolarHBondContact O-N 3.41Å; W415-M418 HydrophobicContact CE3-CE 4.07Å; W415-M418 HydrophobicContact CE3-SD 4.11Å; W415-M418 HydrophobicContact CH2-CE 4.39Å; W415-M418 HydrophobicContact CZ3-CE 3.7Å; W415-M418 HydrophobicContact CZ3-SD 4.27Å; W415-M418 PolarHBondContact O-N 2.76Å; W415-F419 VanDerWaalsContact O-CB 3.3Å; W415-F419 WeakPolarHBondContact O-CB 3.38Å; W415-F419 PolarHBondContact O-N 2.89Å; W415-A434 HydrophobicContact CE3-CB 3.87Å; W415-A434 HydrophobicContact CZ3-CB 4.25Å; W415-E437 HydrophobicContact CD2-CB 3.93Å; W415-E437 HydrophobicContact CE3-CB 3.97Å; W415-E437 HydrophobicContact CH2-CB 3.57Å; W415-E437 HydrophobicContact CH2-CG 3.73Å; W415-E437 HydrophobicContact CZ2-CB 3.54Å; W415-E437 HydrophobicContact CZ2-CG 4Å; W415-E437 WeakPolarHBondContact CZ2-OE2 3.32Å; W415-E437 HydrophobicContact CZ3-CB 3.79Å; W415-E437 HydrophobicContact CZ3-CG 4.17Å; W415-N438 HydrophobicContact CB-CB 4.15Å |
| 416 | S | 88.6 | Confident | 84 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 174.9 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | A412 L413 L414 A420 N438 Q443 | A412-S416 WeakPolarHBondContact O-CB 3.45Å; A412-S416 PolarHBondContact O-N 3.49Å; A412-S416 VanDerWaalsContact O-N 3.11Å; A412-S416 PolarHBondContact O-OG 3.13Å; L413-S416 PolarHBondContact O-N 3.37Å; L414-S416 VanDerWaalsContact C-N 3.33Å; L414-S416 PolarHBondContact O-N 2.68Å; S416-A420 PolarHBondContact O-N 2.91Å; S416-A420 VanDerWaalsContact O-N 3.1Å; S416-N438 PolarHBondContact OG-ND2 3.26Å; S416-Q443 PolarHBondContact OG-OE1 3.26Å |
| 417 | K | 89 | Confident | 85 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 24% | 0.239 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.8 | -43.9 | 174.3 | -77.4 | -76.1 | -166.1 | 160.5 | 0 | 111.3 | E383 L413 L414 F419 A420 Y421 | E383-K417 IonicContact OE1-NZ 3.72Å; E383-K417 PolarHBondContact OE1-NZ 3.34Å; L413-K417 WeakPolarHBondContact O-CG 3.21Å; L413-K417 PolarHBondContact O-N 3.32Å; L414-K417 PolarHBondContact O-N 2.9Å; K417-F419 VanDerWaalsContact C-N 3.34Å; K417-F419 PolarHBondContact O-N 2.97Å; K417-A420 CarbonylContact O-C 3.55Å; K417-A420 WeakPolarHBondContact O-CB 3.48Å; K417-A420 PolarHBondContact O-N 3.16Å; K417-A420 VanDerWaalsContact O-N 3.1Å; K417-Y421 HydrophobicContact CB-CE2 4.05Å; K417-Y421 WeakPolarHBondContact O-CD2 2.99Å; K417-Y421 PolarHBondContact O-N 3.42Å |
| 418 | M | 90.6 | Very high | 86.1 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 172.4 | -73.9 | 175.1 | 62.2 | 0 | 0 | 110.9 | I395 C398 K399 L402 L414 W415 A420 Y421 Y422 A434 | I395-M418 HydrophobicContact CG2-CE 4.26Å; C398-M418 HydrophobicContact CB-CG 3.35Å; C398-M418 HydrophobicContact CB-SD 3.69Å; K399-M418 HydrophobicContact CG-CE 3.82Å; K399-M418 HydrophobicContact CG-SD 4.4Å; L402-M418 HydrophobicContact CD1-SD 3.69Å; L414-M418 WeakPolarHBondContact O-CB 3.49Å; L414-M418 WeakPolarHBondContact O-CG 3.29Å; L414-M418 PolarHBondContact O-N 2.8Å; W415-M418 HydrophobicContact CE3-CE 4.07Å; W415-M418 HydrophobicContact CE3-SD 4.11Å; W415-M418 HydrophobicContact CH2-CE 4.39Å; W415-M418 HydrophobicContact CZ3-CE 3.7Å; W415-M418 HydrophobicContact CZ3-SD 4.27Å; W415-M418 PolarHBondContact O-N 2.76Å; M418-A420 VanDerWaalsContact C-N 3.3Å; M418-A420 PolarHBondContact O-N 3.29Å; M418-Y421 PolarHBondContact O-N 3.07Å; M418-Y421 VanDerWaalsContact O-N 3.08Å; M418-Y422 HydrophobicContact CB-CD2 4.26Å; M418-Y422 HydrophobicContact CB-CE2 4.28Å; M418-Y422 HydrophobicContact CE-CE2 3.98Å; M418-Y422 WeakPolarHBondContact O-CB 3.31Å; M418-Y422 WeakPolarHBondContact O-CD2 3.44Å; M418-Y422 PolarHBondContact O-N 3.41Å; M418-A434 HydrophobicContact CB-CB 4.41Å |
| 419 | F | 92.7 | Very high | 87.1 | Confident | 14 Ų | 14 | 48 Ų | 48 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.1 | -48.4 | 171.7 | 170.6 | -95.1 | 0 | 0 | 0 | 111.6 | W415 K417 Y421 Y422 L423 A431 A434 A435 C447 L451 | W415-F419 VanDerWaalsContact O-CB 3.3Å; W415-F419 WeakPolarHBondContact O-CB 3.38Å; W415-F419 PolarHBondContact O-N 2.89Å; K417-F419 VanDerWaalsContact C-N 3.34Å; K417-F419 PolarHBondContact O-N 2.97Å; F419-Y421 VanDerWaalsContact C-N 3.33Å; F419-Y421 PolarHBondContact O-N 2.97Å; F419-Y422 PolarHBondContact O-N 3.02Å; F419-L423 HydrophobicContact CE1-CD2 4.04Å; F419-L423 HydrophobicContact CZ-CD1 4.43Å; F419-L423 HydrophobicContact CZ-CD2 4.09Å; F419-L423 WeakPolarHBondContact O-CB 3.28Å; F419-L423 PolarHBondContact O-N 3.43Å; F419-A431 HydrophobicContact CD2-CB 3.98Å; F419-A431 VanDerWaalsContact CD2-O 3.3Å; F419-A431 WeakPolarHBondContact CD2-O 3.06Å; F419-A431 HydrophobicContact CE2-CB 4.02Å; F419-A434 HydrophobicContact CB-CB 4.07Å; F419-A435 HydrophobicContact CD2-CB 4.32Å; F419-C447 HydrophobicContact CD1-CB 4.02Å; F419-C447 HydrophobicContact CD2-CB 3.75Å; F419-C447 HydrophobicContact CE1-CB 4Å; F419-C447 HydrophobicContact CE2-CB 3.74Å; F419-C447 WeakPolarHBondContact CE2-O 3.44Å; F419-C447 HydrophobicContact CG-CB 3.91Å; F419-C447 HydrophobicContact CZ-CB 3.89Å; F419-C447 WeakPolarHBondContact CZ-O 3.19Å; F419-L451 HydrophobicContact CE2-CB 4.06Å; F419-L451 HydrophobicContact CE2-CD1 4.12Å; F419-L451 HydrophobicContact CZ-CB 4.19Å |
| 420 | A | 91.1 | Very high | 87.9 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66 | -32.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | S416 K417 M418 K424 | S416-A420 PolarHBondContact O-N 2.91Å; S416-A420 VanDerWaalsContact O-N 3.1Å; K417-A420 CarbonylContact O-C 3.55Å; K417-A420 WeakPolarHBondContact O-CB 3.48Å; K417-A420 PolarHBondContact O-N 3.16Å; K417-A420 VanDerWaalsContact O-N 3.1Å; M418-A420 VanDerWaalsContact C-N 3.3Å; M418-A420 PolarHBondContact O-N 3.29Å; A420-K424 WeakPolarHBondContact O-CB 3.46Å; A420-K424 VanDerWaalsContact O-CG 3.26Å; A420-K424 WeakPolarHBondContact O-CG 3.22Å; A420-K424 PolarHBondContact O-N 2.67Å; A420-K424 VanDerWaalsContact O-N 3.16Å |
| 421 | Y | 91.9 | Very high | 88.8 | Confident | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.5 | -45.6 | 175.6 | -62.5 | -45.3 | 0 | 0 | 0 | 111.9 | A382 A386 L391 I395 K417 M418 F419 L423 K424 M425 | A382-Y421 HydrophobicContact CB-CE2 4.02Å; A382-Y421 PolarHBondContact O-OH 3.37Å; A386-Y421 HydrophobicContact CB-CD1 4.41Å; A386-Y421 HydrophobicContact CB-CE1 3.69Å; L391-Y421 HydrophobicContact CD2-CD1 3.88Å; I395-Y421 HydrophobicContact CG1-CD2 4.34Å; I395-Y421 HydrophobicContact CG1-CG 4.41Å; K417-Y421 HydrophobicContact CB-CE2 4.05Å; K417-Y421 WeakPolarHBondContact O-CD2 2.99Å; K417-Y421 PolarHBondContact O-N 3.42Å; M418-Y421 PolarHBondContact O-N 3.07Å; M418-Y421 VanDerWaalsContact O-N 3.08Å; F419-Y421 VanDerWaalsContact C-N 3.33Å; F419-Y421 PolarHBondContact O-N 2.97Å; Y421-L423 VanDerWaalsContact C-N 3.35Å; Y421-L423 PolarHBondContact O-N 3.21Å; Y421-K424 PolarHBondContact O-N 2.83Å; Y421-K424 VanDerWaalsContact O-N 3.13Å; Y421-M425 WeakPolarHBondContact O-CG 3.36Å; Y421-M425 PolarHBondContact O-N 3.05Å |
| 422 | Y | 92.8 | Very high | 89.1 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 173.4 | -77.9 | -58.8 | 0 | 0 | 0 | 111.7 | I395 K399 M418 F419 K424 M425 A426 D427 G430 A434 | I395-Y422 HydrophobicContact CD1-CD1 3.7Å; I395-Y422 HydrophobicContact CD1-CD2 4.46Å; I395-Y422 HydrophobicContact CD1-CE1 3.72Å; I395-Y422 HydrophobicContact CD1-CE2 4.45Å; I395-Y422 HydrophobicContact CD1-CG 4.09Å; I395-Y422 HydrophobicContact CG2-CE1 4.36Å; I395-Y422 HydrophobicContact CG2-CE2 4.11Å; K399-Y422 PolarHBondContact NZ-OH 2.78Å; M418-Y422 HydrophobicContact CB-CD2 4.26Å; M418-Y422 HydrophobicContact CB-CE2 4.28Å; M418-Y422 HydrophobicContact CE-CE2 3.98Å; M418-Y422 WeakPolarHBondContact O-CB 3.31Å; M418-Y422 WeakPolarHBondContact O-CD2 3.44Å; M418-Y422 PolarHBondContact O-N 3.41Å; F419-Y422 PolarHBondContact O-N 3.02Å; Y422-K424 VanDerWaalsContact C-N 3.29Å; Y422-K424 PolarHBondContact O-N 3.11Å; Y422-M425 HydrophobicContact CD1-CE 4.13Å; Y422-M425 HydrophobicContact CE1-CE 4.41Å; Y422-M425 PolarHBondContact O-N 3.06Å; Y422-M425 VanDerWaalsContact O-N 3.1Å; Y422-A426 PolarHBondContact O-N 3.36Å; Y422-A426 VanDerWaalsContact O-N 3.17Å; Y422-D427 HydrophobicContact CD1-CB 3.93Å; Y422-D427 WeakPolarHBondContact CD1-OD2 3.31Å; Y422-D427 WeakPolarHBondContact CE1-OD2 3.14Å; Y422-D427 PolarHBondContact O-N 2.95Å; Y422-G430 VanDerWaalsContact CD2-O 3.26Å; Y422-G430 WeakPolarHBondContact CD2-O 3.45Å; Y422-A434 HydrophobicContact CD2-CB 4.19Å |
| 423 | L | 90.8 | Very high | 89.3 | Confident | 42 Ų | 42 | 45 Ų | 45 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -36.3 | 175.2 | -166 | 72.5 | 0 | 0 | 0 | 112.3 | F419 Y421 A426 Y428 L451 | F419-L423 HydrophobicContact CE1-CD2 4.04Å; F419-L423 HydrophobicContact CZ-CD1 4.43Å; F419-L423 HydrophobicContact CZ-CD2 4.09Å; F419-L423 WeakPolarHBondContact O-CB 3.28Å; F419-L423 PolarHBondContact O-N 3.43Å; Y421-L423 VanDerWaalsContact C-N 3.35Å; Y421-L423 PolarHBondContact O-N 3.21Å; L423-A426 PolarHBondContact O-N 3.12Å; L423-Y428 HydrophobicContact CD1-CD1 4.35Å; L423-Y428 HydrophobicContact CD1-CE1 4.26Å; L423-L451 HydrophobicContact CD1-CD1 4.44Å |
| 424 | K | 87.4 | Confident | 89.5 | Confident | 146 Ų | 146 | 41.1 Ų | 41.1 | 64% | 0.635 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -73.1 | -29.5 | 174.9 | -79 | 178.3 | 177.9 | -173.8 | 0 | 113.5 | L391 A420 Y421 Y422 A426 | L391-K424 HydrophobicContact CD1-CB 3.6Å; L391-K424 HydrophobicContact CD2-CD 4.35Å; A420-K424 WeakPolarHBondContact O-CB 3.46Å; A420-K424 VanDerWaalsContact O-CG 3.26Å; A420-K424 WeakPolarHBondContact O-CG 3.22Å; A420-K424 PolarHBondContact O-N 2.67Å; A420-K424 VanDerWaalsContact O-N 3.16Å; Y421-K424 PolarHBondContact O-N 2.83Å; Y421-K424 VanDerWaalsContact O-N 3.13Å; Y422-K424 VanDerWaalsContact C-N 3.29Å; Y422-K424 PolarHBondContact O-N 3.11Å; K424-A426 PolarHBondContact O-N 3.3Å |
| 425 | M | 86.4 | Confident | 89.7 | Confident | 73 Ų | 73 | 41.3 Ų | 41.3 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -78.1 | -5.1 | 173.3 | -68.5 | -156.4 | -47.5 | 0 | 0 | 113.2 | L391 E392 I395 Y421 Y422 D427 | L391-M425 HydrophobicContact CB-CG 3.41Å; L391-M425 VanDerWaalsContact CB-CG 3.41Å; L391-M425 HydrophobicContact CB-SD 3.59Å; L391-M425 VanDerWaalsContact CB-SD 3.59Å; L391-M425 HydrophobicContact CD1-CG 3.54Å; L391-M425 HydrophobicContact CG-CG 4.12Å; E392-M425 HydrophobicContact CB-SD 4.38Å; I395-M425 HydrophobicContact CD1-CE 3.3Å; I395-M425 HydrophobicContact CD1-SD 4.15Å; Y421-M425 WeakPolarHBondContact O-CG 3.36Å; Y421-M425 PolarHBondContact O-N 3.05Å; Y422-M425 HydrophobicContact CD1-CE 4.13Å; Y422-M425 HydrophobicContact CE1-CE 4.41Å; Y422-M425 PolarHBondContact O-N 3.06Å; Y422-M425 VanDerWaalsContact O-N 3.1Å; M425-D427 HydrophobicContact CB-CB 4.41Å; M425-D427 PolarHBondContact O-N 3.4Å |
| 426 | A | 86.1 | Confident | 89.6 | Confident | 51 Ų | 51 | 42.8 Ų | 42.8 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 27.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y422 L423 K424 Y428 | Y422-A426 PolarHBondContact O-N 3.36Å; Y422-A426 VanDerWaalsContact O-N 3.17Å; L423-A426 PolarHBondContact O-N 3.12Å; K424-A426 PolarHBondContact O-N 3.3Å; A426-Y428 HydrophobicContact CB-CE2 4.07Å; A426-Y428 WeakPolarHBondContact O-CD2 3.43Å; A426-Y428 WeakPolarHBondContact O-CE2 3.46Å; A426-Y428 PolarHBondContact O-N 3.34Å |
| 427 | D | 88.1 | Confident | 89.5 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | trans | -91.8 | 87.9 | 170.2 | 178.7 | 3.4 | 0 | 0 | 0 | 108.7 | Y422 M425 G430 A431 | Y422-D427 HydrophobicContact CD1-CB 3.93Å; Y422-D427 WeakPolarHBondContact CD1-OD2 3.31Å; Y422-D427 WeakPolarHBondContact CE1-OD2 3.14Å; Y422-D427 PolarHBondContact O-N 2.95Å; M425-D427 HydrophobicContact CB-CB 4.41Å; M425-D427 PolarHBondContact O-N 3.4Å; D427-G430 PolarHBondContact OD1-N 2.93Å; D427-A431 WeakPolarHBondContact O-CB 3.19Å; D427-A431 PolarHBondContact O-N 3.41Å | ||
| 428 | Y | 88.9 | Confident | 89.4 | Confident | 15 Ų | 15 | 45 Ų | 45 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74.4 | -27.7 | -175 | -56.6 | -65.3 | 0 | 0 | 0 | 113.2 | L423 A426 A431 L432 L451 M455 Q458 M460 | L423-Y428 HydrophobicContact CD1-CD1 4.35Å; L423-Y428 HydrophobicContact CD1-CE1 4.26Å; A426-Y428 HydrophobicContact CB-CE2 4.07Å; A426-Y428 WeakPolarHBondContact O-CD2 3.43Å; A426-Y428 WeakPolarHBondContact O-CE2 3.46Å; A426-Y428 PolarHBondContact O-N 3.34Å; Y428-A431 PolarHBondContact O-N 2.92Å; Y428-L432 WeakPolarHBondContact O-CB 3.39Å; Y428-L432 PolarHBondContact O-N 3.45Å; Y428-L451 HydrophobicContact CD1-CD1 4.48Å; Y428-M455 HydrophobicContact CD1-CG 3.8Å; Y428-M455 HydrophobicContact CD1-SD 4.49Å; Y428-M455 HydrophobicContact CE1-CG 4.17Å; Y428-M455 HydrophobicContact CG-CE 4.47Å; Y428-M455 HydrophobicContact CG-CG 4.15Å; Y428-M455 HydrophobicContact CG-SD 4.45Å; Y428-Q458 PolarHBondContact OH-NE2 2.83Å; Y428-Q458 PolarHBondContact OH-OE1 2.92Å; Y428-M460 HydrophobicContact CD1-CE 4.17Å; Y428-M460 HydrophobicContact CD2-CE 3.45Å; Y428-M460 VanDerWaalsContact CD2-CE 3.45Å; Y428-M460 HydrophobicContact CD2-SD 4.13Å; Y428-M460 HydrophobicContact CE1-CE 3.81Å; Y428-M460 HydrophobicContact CE2-CE 3.01Å; Y428-M460 HydrophobicContact CE2-SD 3.5Å; Y428-M460 WeakPolarHBondContact CE2-SD 3.34Å; Y428-M460 HydrophobicContact CG-CE 4.02Å |
| 429 | E | 88.6 | Confident | 89.1 | Confident | 130 Ų | 130 | 49.1 Ų | 49.1 | 61% | 0.607 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -68.6 | -50.6 | 174.3 | -72.3 | -174.8 | 175.5 | 0 | 0 | 110 | A431 L432 E433 F467 | E429-A431 PolarHBondContact O-N 2.93Å; E429-L432 PolarHBondContact O-N 3.49Å; E429-L432 VanDerWaalsContact O-N 3.08Å; E429-E433 WeakPolarHBondContact O-CG 3.42Å; E429-E433 PolarHBondContact O-N 3.33Å; E429-F467 HydrophobicContact CG-CD1 4.47Å; E429-F467 HydrophobicContact CG-CE1 3.48Å; E429-F467 VanDerWaalsContact CG-CE1 3.48Å; E429-F467 HydrophobicContact CG-CZ 3.93Å |
| 430 | G | 88.2 | Confident | 88.7 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.3 | -33.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y422 D427 A434 | Y422-G430 VanDerWaalsContact CD2-O 3.26Å; Y422-G430 WeakPolarHBondContact CD2-O 3.45Å; D427-G430 PolarHBondContact OD1-N 2.93Å; G430-A434 VanDerWaalsContact O-CB 3.28Å; G430-A434 WeakPolarHBondContact O-CB 3.48Å; G430-A434 PolarHBondContact O-N 3.01Å |
| 431 | A | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.3 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F419 D427 Y428 E429 A434 A435 L451 | F419-A431 HydrophobicContact CD2-CB 3.98Å; F419-A431 VanDerWaalsContact CD2-O 3.3Å; F419-A431 WeakPolarHBondContact CD2-O 3.06Å; F419-A431 HydrophobicContact CE2-CB 4.02Å; D427-A431 WeakPolarHBondContact O-CB 3.19Å; D427-A431 PolarHBondContact O-N 3.41Å; Y428-A431 PolarHBondContact O-N 2.92Å; E429-A431 PolarHBondContact O-N 2.93Å; A431-A434 PolarHBondContact O-N 3.17Å; A431-A435 WeakPolarHBondContact O-CB 3.41Å; A431-A435 PolarHBondContact O-N 3.33Å; A431-L451 HydrophobicContact CB-CD1 3.47Å; A431-L451 VanDerWaalsContact CB-CD1 3.47Å |
| 432 | L | 90 | Very high | 88.1 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 176 | -178.5 | 65.1 | 0 | 0 | 0 | 111.2 | Y428 E429 A435 L436 L448 L451 F467 Y469 | Y428-L432 WeakPolarHBondContact O-CB 3.39Å; Y428-L432 PolarHBondContact O-N 3.45Å; E429-L432 PolarHBondContact O-N 3.49Å; E429-L432 VanDerWaalsContact O-N 3.08Å; L432-A435 WeakPolarHBondContact O-CB 3.46Å; L432-A435 PolarHBondContact O-N 3.41Å; L432-A435 VanDerWaalsContact O-N 3.12Å; L432-L436 HydrophobicContact CG-CD1 4.15Å; L432-L436 WeakPolarHBondContact O-CG 3.42Å; L432-L436 PolarHBondContact O-N 3.25Å; L432-L448 HydrophobicContact CD1-CD1 4.22Å; L432-L451 HydrophobicContact CD1-CD2 4.31Å; L432-F467 HydrophobicContact CD2-CB 3.81Å; L432-F467 HydrophobicContact CD2-CD1 4.31Å; L432-F467 HydrophobicContact CD2-CD2 4.22Å; L432-F467 HydrophobicContact CD2-CG 3.88Å; L432-Y469 HydrophobicContact CD1-CD1 3.99Å; L432-Y469 HydrophobicContact CD1-CE1 4.36Å |
| 433 | E | 89.6 | Confident | 87.6 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.5 | -47.6 | 173.6 | -73.1 | -176.1 | 172.9 | 0 | 0 | 111.2 | E429 A435 L436 E437 | E429-E433 WeakPolarHBondContact O-CG 3.42Å; E429-E433 PolarHBondContact O-N 3.33Å; E433-A435 PolarHBondContact O-N 2.91Å; E433-L436 PolarHBondContact O-N 2.85Å; E433-L436 VanDerWaalsContact O-N 3.14Å; E433-E437 WeakPolarHBondContact O-CB 3.36Å; E433-E437 WeakPolarHBondContact O-CG 3.47Å; E433-E437 PolarHBondContact O-N 3.28Å |
| 434 | A | 89.9 | Confident | 87.4 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -29.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W415 M418 F419 Y422 G430 A431 N438 | W415-A434 HydrophobicContact CE3-CB 3.87Å; W415-A434 HydrophobicContact CZ3-CB 4.25Å; M418-A434 HydrophobicContact CB-CB 4.41Å; F419-A434 HydrophobicContact CB-CB 4.07Å; Y422-A434 HydrophobicContact CD2-CB 4.19Å; G430-A434 VanDerWaalsContact O-CB 3.28Å; G430-A434 WeakPolarHBondContact O-CB 3.48Å; G430-A434 PolarHBondContact O-N 3.01Å; A431-A434 PolarHBondContact O-N 3.17Å; A434-N438 PolarHBondContact O-N 3.04Å |
| 435 | A | 90.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -76.2 | -35.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F419 A431 L432 E433 G444 C447 | F419-A435 HydrophobicContact CD2-CB 4.32Å; A431-A435 WeakPolarHBondContact O-CB 3.41Å; A431-A435 PolarHBondContact O-N 3.33Å; L432-A435 WeakPolarHBondContact O-CB 3.46Å; L432-A435 PolarHBondContact O-N 3.41Å; L432-A435 VanDerWaalsContact O-N 3.12Å; E433-A435 PolarHBondContact O-N 2.91Å; A435-G444 WeakPolarHBondContact O-CA 3.49Å; A435-C447 HydrophobicContact CB-CB 3.77Å |
| 436 | L | 88.8 | Confident | 87.7 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -74 | -41 | 177.1 | -70.4 | 171.1 | 0 | 0 | 0 | 112.3 | L432 E433 N438 Y469 L472 | L432-L436 HydrophobicContact CG-CD1 4.15Å; L432-L436 WeakPolarHBondContact O-CG 3.42Å; L432-L436 PolarHBondContact O-N 3.25Å; E433-L436 PolarHBondContact O-N 2.85Å; E433-L436 VanDerWaalsContact O-N 3.14Å; L436-N438 PolarHBondContact O-N 3.32Å; L436-Y469 WeakPolarHBondContact CD2-O 3.1Å; L436-L472 HydrophobicContact CD2-CD1 3.95Å; L436-L472 HydrophobicContact CD2-CG 4.05Å |
| 437 | E | 87.8 | Confident | 87.8 | Confident | 121 Ų | 121 | 62.9 Ų | 62.9 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -74 | -13.2 | 178.4 | -73.8 | -91.6 | 160.4 | 0 | 0 | 113 | W415 E433 P439 | W415-E437 HydrophobicContact CD2-CB 3.93Å; W415-E437 HydrophobicContact CE3-CB 3.97Å; W415-E437 HydrophobicContact CH2-CB 3.57Å; W415-E437 HydrophobicContact CH2-CG 3.73Å; W415-E437 HydrophobicContact CZ2-CB 3.54Å; W415-E437 HydrophobicContact CZ2-CG 4Å; W415-E437 WeakPolarHBondContact CZ2-OE2 3.32Å; W415-E437 HydrophobicContact CZ3-CB 3.79Å; W415-E437 HydrophobicContact CZ3-CG 4.17Å; E433-E437 WeakPolarHBondContact O-CB 3.36Å; E433-E437 WeakPolarHBondContact O-CG 3.47Å; E433-E437 PolarHBondContact O-N 3.28Å; E437-P439 VanDerWaalsContact O-CD 3.27Å; E437-P439 WeakPolarHBondContact O-CD 3.29Å; E437-P439 VanDerWaalsContact O-N 3.12Å |
| 438 | N | 85.8 | Confident | 87.9 | Confident | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | trans | -63.1 | 117.3 | -179.4 | -169.2 | -29.3 | 0 | 0 | 0 | 110 | W415 S416 A434 L436 N440 Q443 | W415-N438 HydrophobicContact CB-CB 4.15Å; S416-N438 PolarHBondContact OG-ND2 3.26Å; A434-N438 PolarHBondContact O-N 3.04Å; L436-N438 PolarHBondContact O-N 3.32Å; N438-N440 PolarHBondContact O-N 2.95Å; N438-N440 PolarHBondContact OD1-N 3.4Å; N438-Q443 WeakPolarHBondContact ND2-CB 3.35Å | ||
| 439 | P | 84.1 | Confident | 88 | Confident | 90 Ų | 90 | 61 Ų | 61 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -62.1 | -18.3 | -177 | 24.6 | -34.7 | 0 | 0 | 0 | 113 | H411 A412 E437 | H411-P439 HydrophobicContact CB-CG 4.2Å; A412-P439 HydrophobicContact CB-CG 4.13Å; E437-P439 VanDerWaalsContact O-CD 3.27Å; E437-P439 WeakPolarHBondContact O-CD 3.29Å; E437-P439 VanDerWaalsContact O-N 3.12Å |
| 440 | N | 84.2 | Confident | 88.1 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | trans | -98.6 | 101.8 | 175.1 | -173.3 | -9.9 | 0 | 0 | 0 | 111.5 | A412 N438 R442 Q443 G444 | A412-N440 HydrophobicContact CB-CB 4.39Å; N438-N440 PolarHBondContact O-N 2.95Å; N438-N440 PolarHBondContact OD1-N 3.4Å; N440-R442 PolarHBondContact O-N 3.48Å; N440-R442 VanDerWaalsContact O-N 3.09Å; N440-R442 PolarHBondContact OD1-N 3.16Å; N440-Q443 HydrophobicContact CB-CB 4.15Å; N440-Q443 HydrophobicContact CB-CG 4.23Å; N440-Q443 WeakPolarHBondContact O-CA 3.49Å; N440-Q443 WeakPolarHBondContact O-CB 3.42Å; N440-Q443 PolarHBondContact O-N 3.09Å; N440-G444 PolarHBondContact O-N 3.09Å | ||
| 441 | R | 84 | Confident | 88.2 | Confident | 142 Ų | 142 | 57.7 Ų | 57.7 | 54% | 0.536 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -50.1 | -38.4 | 178.1 | -172.2 | 178.9 | -178.9 | 120.4 | 8 | 113.8 | Q443 G444 E445 D471 | R441-Q443 VanDerWaalsContact C-N 3.32Å; R441-Q443 PolarHBondContact O-N 3.03Å; R441-G444 PolarHBondContact O-N 3.3Å; R441-E445 HydrophobicContact CG-CG 4.48Å; R441-E445 IonicContact NE-OE1 3.38Å; R441-E445 PolarHBondContact NE-OE1 3.27Å; R441-E445 WeakPolarHBondContact O-CG 3.34Å; R441-E445 PolarHBondContact O-N 2.82Å; R441-D471 PolarHBondContact NH2-O 3.39Å |
| 442 | R | 86.3 | Confident | 88.1 | Confident | 197 Ų | 197 | 57.7 Ų | 57.7 | 74% | 0.743 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.6 | -31.2 | 179 | -68.8 | -176.6 | 177.6 | 174.6 | 0.1 | 112.9 | N440 K446 | N440-R442 PolarHBondContact O-N 3.48Å; N440-R442 VanDerWaalsContact O-N 3.09Å; N440-R442 PolarHBondContact OD1-N 3.16Å; R442-K446 WeakPolarHBondContact O-CG 3.27Å; R442-K446 PolarHBondContact O-N 2.86Å |
| 443 | Q | 83.9 | Confident | 88 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -77.3 | -40.9 | 173.4 | -72.1 | 179.6 | -7.6 | 0 | 0 | 110.2 | A412 S416 N438 N440 R441 E445 K446 C447 | A412-Q443 PolarHBondContact O-OE1 3.15Å; S416-Q443 PolarHBondContact OG-OE1 3.26Å; N438-Q443 WeakPolarHBondContact ND2-CB 3.35Å; N440-Q443 HydrophobicContact CB-CB 4.15Å; N440-Q443 HydrophobicContact CB-CG 4.23Å; N440-Q443 WeakPolarHBondContact O-CA 3.49Å; N440-Q443 WeakPolarHBondContact O-CB 3.42Å; N440-Q443 PolarHBondContact O-N 3.09Å; R441-Q443 VanDerWaalsContact C-N 3.32Å; R441-Q443 PolarHBondContact O-N 3.03Å; Q443-E445 VanDerWaalsContact C-N 3.33Å; Q443-E445 PolarHBondContact O-N 3Å; Q443-K446 PolarHBondContact O-N 2.8Å; Q443-K446 VanDerWaalsContact O-N 3.13Å; Q443-C447 WeakPolarHBondContact O-CB 3.37Å; Q443-C447 PolarHBondContact O-N 3.38Å; Q443-C447 PolarHBondContact O-SG 3.34Å |
| 444 | G | 86.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.2 | -44.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A435 N440 R441 K446 C447 L448 | A435-G444 WeakPolarHBondContact O-CA 3.49Å; N440-G444 PolarHBondContact O-N 3.09Å; R441-G444 PolarHBondContact O-N 3.3Å; G444-K446 PolarHBondContact O-N 2.89Å; G444-C447 PolarHBondContact O-N 2.96Å; G444-L448 WeakPolarHBondContact O-CB 3.14Å; G444-L448 PolarHBondContact O-N 3.28Å |
| 445 | E | 90 | Very high | 87.7 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 175.1 | -73.1 | 171.5 | -175.2 | 0 | 0 | 112.7 | R441 Q443 L448 D449 L472 R475 | R441-E445 HydrophobicContact CG-CG 4.48Å; R441-E445 IonicContact NE-OE1 3.38Å; R441-E445 PolarHBondContact NE-OE1 3.27Å; R441-E445 WeakPolarHBondContact O-CG 3.34Å; R441-E445 PolarHBondContact O-N 2.82Å; Q443-E445 VanDerWaalsContact C-N 3.33Å; Q443-E445 PolarHBondContact O-N 3Å; E445-L448 PolarHBondContact O-N 3.42Å; E445-D449 PolarHBondContact O-N 3.08Å; E445-L472 HydrophobicContact CG-CD2 3.83Å; E445-R475 HydrophobicContact CB-CG 4.32Å; E445-R475 HydrophobicContact CG-CB 4.36Å; E445-R475 HydrophobicContact CG-CG 4.12Å |
| 446 | K | 88.9 | Confident | 87.5 | Confident | 148 Ų | 148 | 55.4 Ų | 55.4 | 64% | 0.643 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -70.5 | -38.9 | 175.2 | -74.6 | 179.7 | 179 | -173.2 | 0 | 112.5 | R442 Q443 G444 L448 D449 S450 | R442-K446 WeakPolarHBondContact O-CG 3.27Å; R442-K446 PolarHBondContact O-N 2.86Å; Q443-K446 PolarHBondContact O-N 2.8Å; Q443-K446 VanDerWaalsContact O-N 3.13Å; G444-K446 PolarHBondContact O-N 2.89Å; K446-L448 VanDerWaalsContact C-N 3.32Å; K446-D449 PolarHBondContact O-N 2.81Å; K446-S450 PolarHBondContact O-N 3.4Å; K446-S450 PolarHBondContact O-OG 2.8Å |
| 447 | C | 89 | Confident | 87.2 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 172.1 | -73 | 0 | 0 | 0 | 0 | 109.8 | F419 A435 Q443 G444 D449 S450 L451 | F419-C447 HydrophobicContact CD1-CB 4.02Å; F419-C447 HydrophobicContact CD2-CB 3.75Å; F419-C447 HydrophobicContact CE1-CB 4Å; F419-C447 HydrophobicContact CE2-CB 3.74Å; F419-C447 WeakPolarHBondContact CE2-O 3.44Å; F419-C447 HydrophobicContact CG-CB 3.91Å; F419-C447 HydrophobicContact CZ-CB 3.89Å; F419-C447 WeakPolarHBondContact CZ-O 3.19Å; A435-C447 HydrophobicContact CB-CB 3.77Å; Q443-C447 WeakPolarHBondContact O-CB 3.37Å; Q443-C447 PolarHBondContact O-N 3.38Å; Q443-C447 PolarHBondContact O-SG 3.34Å; G444-C447 PolarHBondContact O-N 2.96Å; C447-D449 PolarHBondContact O-N 3.32Å; C447-S450 PolarHBondContact O-N 3.46Å; C447-L451 WeakPolarHBondContact O-CB 3.41Å; C447-L451 PolarHBondContact O-N 2.84Å |
| 448 | L | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 174.4 | 179.8 | 63.4 | 0 | 0 | 0 | 112 | L432 G444 E445 K446 S450 L451 L452 Y469 L472 R475 F476 | L432-L448 HydrophobicContact CD1-CD1 4.22Å; G444-L448 WeakPolarHBondContact O-CB 3.14Å; G444-L448 PolarHBondContact O-N 3.28Å; E445-L448 PolarHBondContact O-N 3.42Å; K446-L448 VanDerWaalsContact C-N 3.32Å; L448-S450 VanDerWaalsContact C-N 3.31Å; L448-S450 PolarHBondContact O-N 3.28Å; L448-L451 HydrophobicContact CD1-CD2 4.12Å; L448-L451 WeakPolarHBondContact O-CB 3.28Å; L448-L451 PolarHBondContact O-N 3.27Å; L448-L452 HydrophobicContact CD1-CD1 4.13Å; L448-L452 HydrophobicContact CD1-CD2 4.4Å; L448-L452 HydrophobicContact CD1-CG 3.99Å; L448-L452 HydrophobicContact CG-CD1 3.96Å; L448-L452 HydrophobicContact CG-CG 4.25Å; L448-L452 WeakPolarHBondContact O-CB 3.31Å; L448-L452 VanDerWaalsContact O-CG 3.28Å; L448-L452 WeakPolarHBondContact O-CG 3.26Å; L448-L452 PolarHBondContact O-N 2.85Å; L448-Y469 HydrophobicContact CD1-CD1 3.6Å; L448-Y469 HydrophobicContact CD1-CE1 3.63Å; L448-Y469 HydrophobicContact CD2-CD1 4.41Å; L448-L472 HydrophobicContact CB-CD1 4.27Å; L448-L472 HydrophobicContact CD2-CB 3.69Å; L448-L472 HydrophobicContact CD2-CD1 4.24Å; L448-R475 HydrophobicContact CD2-CB 4.34Å; L448-R475 HydrophobicContact CD2-CG 4.26Å; L448-F476 HydrophobicContact CD2-CB 4.43Å |
| 449 | D | 90 | Very high | 86.9 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 19% | 0.187 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 176.3 | -71 | -8.5 | 0 | 0 | 0 | 111.1 | E445 K446 C447 V453 R475 Y479 | E445-D449 PolarHBondContact O-N 3.08Å; K446-D449 PolarHBondContact O-N 2.81Å; C447-D449 PolarHBondContact O-N 3.32Å; D449-V453 VanDerWaalsContact O-CG2 3.25Å; D449-V453 WeakPolarHBondContact O-CG2 3.43Å; D449-V453 PolarHBondContact O-N 2.98Å; D449-R475 IonicContact OD1-CZ 2.62Å; D449-R475 IonicContact OD1-NE 3.89Å; D449-R475 PolarHBondContact OD1-NE 3.31Å; D449-R475 IonicContact OD1-NH2 3.34Å; D449-R475 PolarHBondContact OD1-NH2 2.86Å; D449-R475 IonicContact OD2-CZ 3.04Å; D449-R475 IonicContact OD2-NE 2.66Å; D449-R475 IonicContact OD2-NH2 3.23Å; D449-R475 PolarHBondContact OD2-NH2 3.2Å; D449-Y479 HydrophobicContact CB-CE2 4.46Å |
| 450 | S | 90.4 | Very high | 87 | Confident | 63 Ų | 63 | 61.6 Ų | 61.6 | 44% | 0.441 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 175.4 | -69.5 | 0 | 0 | 0 | 0 | 113.6 | K446 C447 L448 S454 | K446-S450 PolarHBondContact O-N 3.4Å; K446-S450 PolarHBondContact O-OG 2.8Å; C447-S450 PolarHBondContact O-N 3.46Å; L448-S450 VanDerWaalsContact C-N 3.31Å; L448-S450 PolarHBondContact O-N 3.28Å; S450-S454 WeakPolarHBondContact O-CB 3.44Å; S450-S454 PolarHBondContact O-N 3.15Å |
| 451 | L | 90.3 | Very high | 87 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -50.8 | 173.7 | -175.5 | 108.5 | 0 | 0 | 0 | 110.1 | F419 L423 Y428 A431 L432 C447 L448 V453 S454 M455 | F419-L451 HydrophobicContact CE2-CB 4.06Å; F419-L451 HydrophobicContact CE2-CD1 4.12Å; F419-L451 HydrophobicContact CZ-CB 4.19Å; L423-L451 HydrophobicContact CD1-CD1 4.44Å; Y428-L451 HydrophobicContact CD1-CD1 4.48Å; A431-L451 HydrophobicContact CB-CD1 3.47Å; A431-L451 VanDerWaalsContact CB-CD1 3.47Å; L432-L451 HydrophobicContact CD1-CD2 4.31Å; C447-L451 WeakPolarHBondContact O-CB 3.41Å; C447-L451 PolarHBondContact O-N 2.84Å; L448-L451 HydrophobicContact CD1-CD2 4.12Å; L448-L451 WeakPolarHBondContact O-CB 3.28Å; L448-L451 PolarHBondContact O-N 3.27Å; L451-V453 VanDerWaalsContact C-N 3.35Å; L451-V453 PolarHBondContact O-N 3.5Å; L451-S454 WeakPolarHBondContact O-CB 3.26Å; L451-S454 PolarHBondContact O-N 3.45Å; L451-M455 HydrophobicContact CD2-SD 3.76Å; L451-M455 HydrophobicContact CG-CG 4.37Å; L451-M455 HydrophobicContact CG-SD 3.94Å; L451-M455 VanDerWaalsContact O-CG 3.28Å; L451-M455 WeakPolarHBondContact O-CG 2.95Å; L451-M455 PolarHBondContact O-N 3.46Å |
| 452 | L | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 179.5 | -66.9 | 174.6 | 0 | 0 | 0 | 111.5 | L448 I456 V464 Y469 F476 Y479 | L448-L452 HydrophobicContact CD1-CD1 4.13Å; L448-L452 HydrophobicContact CD1-CD2 4.4Å; L448-L452 HydrophobicContact CD1-CG 3.99Å; L448-L452 HydrophobicContact CG-CD1 3.96Å; L448-L452 HydrophobicContact CG-CG 4.25Å; L448-L452 WeakPolarHBondContact O-CB 3.31Å; L448-L452 VanDerWaalsContact O-CG 3.28Å; L448-L452 WeakPolarHBondContact O-CG 3.26Å; L448-L452 PolarHBondContact O-N 2.85Å; L452-I456 HydrophobicContact CB-CD1 4.5Å; L452-I456 WeakPolarHBondContact O-CB 3.46Å; L452-I456 WeakPolarHBondContact O-CD1 3.39Å; L452-I456 WeakPolarHBondContact O-CG1 3.29Å; L452-I456 PolarHBondContact O-N 3.39Å; L452-V464 HydrophobicContact CD2-CG1 3.97Å; L452-Y469 HydrophobicContact CD2-CE1 4.05Å; L452-F476 HydrophobicContact CD1-CD2 3.87Å; L452-F476 HydrophobicContact CD2-CD2 3.76Å; L452-F476 HydrophobicContact CD2-CE2 3.92Å; L452-F476 HydrophobicContact CG-CD2 4.49Å; L452-Y479 HydrophobicContact CB-CD1 4.34Å; L452-Y479 HydrophobicContact CB-CE1 3.92Å; L452-Y479 HydrophobicContact CD1-CD1 3.62Å; L452-Y479 HydrophobicContact CD1-CE1 4.07Å; L452-Y479 HydrophobicContact CD1-CG 4.09Å |
| 453 | V | 87.9 | Confident | 87 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 173.5 | 171 | 0 | 0 | 0 | 0 | 111 | D449 L451 M455 I456 D457 Y479 | D449-V453 VanDerWaalsContact O-CG2 3.25Å; D449-V453 WeakPolarHBondContact O-CG2 3.43Å; D449-V453 PolarHBondContact O-N 2.98Å; L451-V453 VanDerWaalsContact C-N 3.35Å; L451-V453 PolarHBondContact O-N 3.5Å; V453-M455 PolarHBondContact O-N 3.04Å; V453-I456 PolarHBondContact O-N 2.92Å; V453-D457 WeakPolarHBondContact O-CB 3.36Å; V453-D457 VanDerWaalsContact O-CG 3.28Å; V453-D457 PolarHBondContact O-N 3.45Å; V453-Y479 VanDerWaalsContact CG2-OH 3.25Å; V453-Y479 WeakPolarHBondContact CG2-OH 3.5Å |
| 454 | S | 87.3 | Confident | 87.1 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | S450 L451 Q458 | S450-S454 WeakPolarHBondContact O-CB 3.44Å; S450-S454 PolarHBondContact O-N 3.15Å; L451-S454 WeakPolarHBondContact O-CB 3.26Å; L451-S454 PolarHBondContact O-N 3.45Å; S454-Q458 WeakPolarHBondContact O-CG 3.29Å; S454-Q458 PolarHBondContact O-N 3.44Å; S454-Q458 VanDerWaalsContact O-N 3.08Å |
| 455 | M | 87.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.7 | -38.1 | -177.3 | -66 | -179.6 | 77.9 | 0 | 0 | 112.7 | Y428 L451 V453 Q458 K459 M460 E463 V464 F467 | Y428-M455 HydrophobicContact CD1-CG 3.8Å; Y428-M455 HydrophobicContact CD1-SD 4.49Å; Y428-M455 HydrophobicContact CE1-CG 4.17Å; Y428-M455 HydrophobicContact CG-CE 4.47Å; Y428-M455 HydrophobicContact CG-CG 4.15Å; Y428-M455 HydrophobicContact CG-SD 4.45Å; L451-M455 HydrophobicContact CD2-SD 3.76Å; L451-M455 HydrophobicContact CG-CG 4.37Å; L451-M455 HydrophobicContact CG-SD 3.94Å; L451-M455 VanDerWaalsContact O-CG 3.28Å; L451-M455 WeakPolarHBondContact O-CG 2.95Å; L451-M455 PolarHBondContact O-N 3.46Å; V453-M455 PolarHBondContact O-N 3.04Å; M455-Q458 CarbonylContact O-C 3.5Å; M455-Q458 PolarHBondContact O-N 3.49Å; M455-K459 PolarHBondContact O-N 2.95Å; M455-K459 VanDerWaalsContact O-N 3.16Å; M455-M460 HydrophobicContact CB-CE 3.78Å; M455-M460 HydrophobicContact CE-CE 4.13Å; M455-M460 HydrophobicContact CG-CE 3.6Å; M455-M460 PolarHBondContact O-N 2.97Å; M455-E463 HydrophobicContact CE-CB 3.52Å; M455-V464 HydrophobicContact CB-CG2 3.54Å; M455-V464 HydrophobicContact CE-CB 4.45Å; M455-V464 HydrophobicContact CE-CG2 3.63Å; M455-V464 HydrophobicContact CG-CG2 4.34Å; M455-V464 HydrophobicContact SD-CG2 3.83Å; M455-F467 HydrophobicContact CE-CD2 3.7Å; M455-F467 HydrophobicContact CE-CE2 3.17Å; M455-F467 HydrophobicContact CE-CZ 4.02Å; M455-F467 HydrophobicContact SD-CD2 3.92Å; M455-F467 HydrophobicContact SD-CE2 3.54Å; M455-F467 VanDerWaalsContact SD-CE2 3.54Å |
| 456 | I | 84.9 | Confident | 87.1 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 177.4 | -69.4 | 168.7 | 0 | 0 | 0 | 110.6 | L452 V453 Q458 K459 F461 Y479 M480 L490 Y494 M497 | L452-I456 HydrophobicContact CB-CD1 4.5Å; L452-I456 WeakPolarHBondContact O-CB 3.46Å; L452-I456 WeakPolarHBondContact O-CD1 3.39Å; L452-I456 WeakPolarHBondContact O-CG1 3.29Å; L452-I456 PolarHBondContact O-N 3.39Å; V453-I456 PolarHBondContact O-N 2.92Å; I456-Q458 VanDerWaalsContact C-N 3.27Å; I456-Q458 PolarHBondContact O-N 2.94Å; I456-K459 WeakPolarHBondContact O-CA 3.39Å; I456-K459 PolarHBondContact O-N 2.86Å; I456-F461 HydrophobicContact CG2-CE1 4.31Å; I456-Y479 HydrophobicContact CD1-CE1 4.41Å; I456-M480 HydrophobicContact CD1-SD 4.23Å; I456-L490 HydrophobicContact CG2-CD1 4.38Å; I456-Y494 HydrophobicContact CD1-CE1 3.76Å; I456-M497 HydrophobicContact CD1-CE 4.36Å; I456-M497 HydrophobicContact CG1-CE 4.41Å |
| 457 | D | 83.7 | Confident | 86.9 | Confident | 122 Ų | 122 | 45.1 Ų | 45.1 | 65% | 0.652 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.2 | -33.9 | 175.7 | -75.8 | -13.5 | 0 | 0 | 0 | 111.6 | V453 K459 | V453-D457 WeakPolarHBondContact O-CB 3.36Å; V453-D457 VanDerWaalsContact O-CG 3.28Å; V453-D457 PolarHBondContact O-N 3.45Å; D457-K459 VanDerWaalsContact C-N 3.26Å; D457-K459 PolarHBondContact O-N 2.98Å |
| 458 | Q | 84.5 | Confident | 86.7 | Confident | 105 Ų | 105 | 51.7 Ų | 51.7 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 1 | 172.1 | -67.4 | -171.3 | 29.6 | 0 | 0 | 114.3 | Y428 S454 M455 I456 M460 | Y428-Q458 PolarHBondContact OH-NE2 2.83Å; Y428-Q458 PolarHBondContact OH-OE1 2.92Å; S454-Q458 WeakPolarHBondContact O-CG 3.29Å; S454-Q458 PolarHBondContact O-N 3.44Å; S454-Q458 VanDerWaalsContact O-N 3.08Å; M455-Q458 CarbonylContact O-C 3.5Å; M455-Q458 PolarHBondContact O-N 3.49Å; I456-Q458 VanDerWaalsContact C-N 3.27Å; I456-Q458 PolarHBondContact O-N 2.94Å; Q458-M460 VanDerWaalsContact C-N 3.29Å; Q458-M460 HydrophobicContact CB-CE 4.25Å; Q458-M460 HydrophobicContact CB-CG 4.01Å; Q458-M460 HydrophobicContact CB-SD 4.26Å; Q458-M460 PolarHBondContact O-N 3.27Å |
| 459 | K | 82.7 | Confident | 86.4 | Confident | 162 Ų | 162 | 51.8 Ų | 51.8 | 70% | 0.704 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 28.7 | 179.6 | -53.8 | -179.6 | 179.2 | 180 | 0 | 114.7 | M455 I456 D457 F461 | M455-K459 PolarHBondContact O-N 2.95Å; M455-K459 VanDerWaalsContact O-N 3.16Å; I456-K459 WeakPolarHBondContact O-CA 3.39Å; I456-K459 PolarHBondContact O-N 2.86Å; D457-K459 VanDerWaalsContact C-N 3.26Å; D457-K459 PolarHBondContact O-N 2.98Å; K459-F461 HydrophobicContact CB-CE2 4.08Å; K459-F461 HydrophobicContact CB-CZ 4.17Å; K459-F461 HydrophobicContact CG-CZ 4.36Å; K459-F461 PolarHBondContact O-N 3.01Å |
| 460 | M | 84.8 | Confident | 86.1 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | trans | -86.8 | 57.4 | 179.2 | -51.5 | -177.2 | -55.7 | 0 | 0 | 111.5 | Y428 M455 Q458 A462 E463 V464 | Y428-M460 HydrophobicContact CD1-CE 4.17Å; Y428-M460 HydrophobicContact CD2-CE 3.45Å; Y428-M460 VanDerWaalsContact CD2-CE 3.45Å; Y428-M460 HydrophobicContact CD2-SD 4.13Å; Y428-M460 HydrophobicContact CE1-CE 3.81Å; Y428-M460 HydrophobicContact CE2-CE 3.01Å; Y428-M460 HydrophobicContact CE2-SD 3.5Å; Y428-M460 WeakPolarHBondContact CE2-SD 3.34Å; Y428-M460 HydrophobicContact CG-CE 4.02Å; M455-M460 HydrophobicContact CB-CE 3.78Å; M455-M460 HydrophobicContact CE-CE 4.13Å; M455-M460 HydrophobicContact CG-CE 3.6Å; M455-M460 PolarHBondContact O-N 2.97Å; Q458-M460 VanDerWaalsContact C-N 3.29Å; Q458-M460 HydrophobicContact CB-CE 4.25Å; Q458-M460 HydrophobicContact CB-CG 4.01Å; Q458-M460 HydrophobicContact CB-SD 4.26Å; Q458-M460 PolarHBondContact O-N 3.27Å; M460-A462 VanDerWaalsContact C-N 3.28Å; M460-A462 PolarHBondContact O-N 3.43Å; M460-E463 HydrophobicContact CB-CB 4.32Å; M460-E463 PolarHBondContact O-N 3.35Å; M460-E463 VanDerWaalsContact SD-OE2 3.39Å; M460-V464 WeakPolarHBondContact O-CG2 3.41Å; M460-V464 PolarHBondContact O-N 3Å | ||
| 461 | F | 85.3 | Confident | 85.8 | Confident | 67 Ų | 67 | 55.7 Ų | 55.7 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -32.8 | -174.2 | -53.1 | -52.7 | 0 | 0 | 0 | 113.2 | I456 K459 V465 M497 | I456-F461 HydrophobicContact CG2-CE1 4.31Å; K459-F461 HydrophobicContact CB-CE2 4.08Å; K459-F461 HydrophobicContact CB-CZ 4.17Å; K459-F461 HydrophobicContact CG-CZ 4.36Å; K459-F461 PolarHBondContact O-N 3.01Å; F461-V465 WeakPolarHBondContact O-CG2 3.41Å; F461-V465 PolarHBondContact O-N 3.09Å; F461-M497 HydrophobicContact CB-CG 4.18Å; F461-M497 HydrophobicContact CB-SD 4.12Å; F461-M497 HydrophobicContact CD1-CE 3.94Å; F461-M497 HydrophobicContact CD1-CG 4.31Å; F461-M497 HydrophobicContact CD1-SD 3.43Å; F461-M497 WeakPolarHBondContact CD1-SD 3.45Å; F461-M497 HydrophobicContact CE1-CE 4.15Å; F461-M497 HydrophobicContact CE1-SD 4.22Å; F461-M497 HydrophobicContact CG-SD 4.14Å |
| 462 | A | 85.3 | Confident | 85.6 | Confident | 69 Ų | 69 | 56 Ų | 56 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.9 | -47.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | M460 V464 V465 D466 | M460-A462 VanDerWaalsContact C-N 3.28Å; M460-A462 PolarHBondContact O-N 3.43Å; A462-V464 VanDerWaalsContact C-N 3.35Å; A462-V464 PolarHBondContact O-N 3.14Å; A462-V465 PolarHBondContact O-N 3.42Å; A462-V465 VanDerWaalsContact O-N 3.13Å; A462-D466 WeakPolarHBondContact O-CB 3.28Å; A462-D466 PolarHBondContact O-N 3.07Å |
| 463 | E | 83.4 | Confident | 85.5 | Confident | 84 Ų | 84 | 59.5 Ų | 59.5 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 178.5 | -65.6 | 174.6 | -165.1 | 0 | 0 | 111.9 | M455 M460 V465 D466 F467 | M455-E463 HydrophobicContact CE-CB 3.52Å; M460-E463 HydrophobicContact CB-CB 4.32Å; M460-E463 PolarHBondContact O-N 3.35Å; M460-E463 VanDerWaalsContact SD-OE2 3.39Å; E463-V465 VanDerWaalsContact C-N 3.27Å; E463-V465 PolarHBondContact O-N 3.46Å; E463-D466 PolarHBondContact O-N 3.17Å; E463-D466 VanDerWaalsContact O-N 3.13Å; E463-F467 WeakPolarHBondContact O-CG 3.16Å; E463-F467 PolarHBondContact O-N 3.1Å |
| 464 | V | 87 | Confident | 85.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L452 M455 M460 A462 Y469 F476 M480 M497 | L452-V464 HydrophobicContact CD2-CG1 3.97Å; M455-V464 HydrophobicContact CB-CG2 3.54Å; M455-V464 HydrophobicContact CE-CB 4.45Å; M455-V464 HydrophobicContact CE-CG2 3.63Å; M455-V464 HydrophobicContact CG-CG2 4.34Å; M455-V464 HydrophobicContact SD-CG2 3.83Å; M460-V464 WeakPolarHBondContact O-CG2 3.41Å; M460-V464 PolarHBondContact O-N 3Å; A462-V464 VanDerWaalsContact C-N 3.35Å; A462-V464 PolarHBondContact O-N 3.14Å; V464-Y469 WeakPolarHBondContact CG1-OH 3.45Å; V464-Y469 WeakPolarHBondContact O-CE2 3.15Å; V464-Y469 PolarHBondContact O-OH 2.68Å; V464-F476 HydrophobicContact CG1-CE2 3.71Å; V464-F476 HydrophobicContact CG1-CZ 4.26Å; V464-M480 HydrophobicContact CG1-CE 4.22Å; V464-M497 HydrophobicContact CG1-SD 4.42Å |
| 465 | V | 87.8 | Confident | 85.6 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -74.6 | -31.7 | 177.8 | 166.3 | 0 | 0 | 0 | 0 | 111.6 | F461 A462 E463 M497 A500 K504 | F461-V465 WeakPolarHBondContact O-CG2 3.41Å; F461-V465 PolarHBondContact O-N 3.09Å; A462-V465 PolarHBondContact O-N 3.42Å; A462-V465 VanDerWaalsContact O-N 3.13Å; E463-V465 VanDerWaalsContact C-N 3.27Å; E463-V465 PolarHBondContact O-N 3.46Å; V465-M497 HydrophobicContact CG2-CB 4.38Å; V465-M497 HydrophobicContact CG2-CG 4.48Å; V465-A500 HydrophobicContact CG1-CB 4.1Å; V465-A500 HydrophobicContact CG2-CB 4.05Å; V465-K504 HydrophobicContact CG1-CB 4.45Å; V465-K504 HydrophobicContact CG1-CD 4.3Å |
| 466 | D | 87.6 | Confident | 85.8 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 40% | 0.401 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -78.4 | -28.8 | -174.6 | -77.6 | 9.2 | 0 | 0 | 0 | 113.6 | A462 E463 K504 | A462-D466 WeakPolarHBondContact O-CB 3.28Å; A462-D466 PolarHBondContact O-N 3.07Å; E463-D466 PolarHBondContact O-N 3.17Å; E463-D466 VanDerWaalsContact O-N 3.13Å; D466-K504 WeakPolarHBondContact OD1-CD 3.32Å; D466-K504 IonicContact OD1-NZ 2.99Å; D466-K504 PolarHBondContact OD1-NZ 3.45Å; D466-K504 IonicContact OD2-NZ 2.84Å; D466-K504 PolarHBondContact OD2-NZ 3.07Å; D466-K504 VanDerWaalsContact OD2-NZ 3.07Å |
| 467 | F | 85.7 | Confident | 86.1 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | trans | -64 | 141.1 | -178.3 | -75.3 | -27.2 | 0 | 0 | 0 | 115 | E429 L432 M455 E463 Y469 R505 | E429-F467 HydrophobicContact CG-CD1 4.47Å; E429-F467 HydrophobicContact CG-CE1 3.48Å; E429-F467 VanDerWaalsContact CG-CE1 3.48Å; E429-F467 HydrophobicContact CG-CZ 3.93Å; L432-F467 HydrophobicContact CD2-CB 3.81Å; L432-F467 HydrophobicContact CD2-CD1 4.31Å; L432-F467 HydrophobicContact CD2-CD2 4.22Å; L432-F467 HydrophobicContact CD2-CG 3.88Å; M455-F467 HydrophobicContact CE-CD2 3.7Å; M455-F467 HydrophobicContact CE-CE2 3.17Å; M455-F467 HydrophobicContact CE-CZ 4.02Å; M455-F467 HydrophobicContact SD-CD2 3.92Å; M455-F467 HydrophobicContact SD-CE2 3.54Å; M455-F467 VanDerWaalsContact SD-CE2 3.54Å; E463-F467 WeakPolarHBondContact O-CG 3.16Å; E463-F467 PolarHBondContact O-N 3.1Å; F467-Y469 HydrophobicContact CB-CE1 4.23Å; F467-Y469 HydrophobicContact CB-CE2 4.17Å; F467-Y469 WeakPolarHBondContact O-CD2 3.3Å; F467-Y469 WeakPolarHBondContact O-CE2 2.85Å; F467-Y469 PolarHBondContact O-N 3.08Å; F467-R505 PolarHBondContact O-NH2 3.47Å | ||
| 468 | M | 83.8 | Confident | 86.3 | Confident | 150 Ų | 150 | 61.6 Ų | 61.6 | 74% | 0.739 | 32% | 0.324 | S | S | * | . | trans | -91.9 | 94.4 | 174 | -67.1 | -64.9 | -143.7 | 0 | 0 | 109.3 | G470 | M468-G470 PolarHBondContact O-N 3.23Å; M468-G470 VanDerWaalsContact O-N 3.14Å | ||
| 469 | Y | 86 | Confident | 86.5 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | trans | -72 | -0.4 | -177.1 | -62.3 | -76.2 | 0 | 0 | 0 | 115.4 | L432 L436 L448 L452 V464 F467 D471 L472 E473 F476 Y501 | L432-Y469 HydrophobicContact CD1-CD1 3.99Å; L432-Y469 HydrophobicContact CD1-CE1 4.36Å; L436-Y469 WeakPolarHBondContact CD2-O 3.1Å; L448-Y469 HydrophobicContact CD1-CD1 3.6Å; L448-Y469 HydrophobicContact CD1-CE1 3.63Å; L448-Y469 HydrophobicContact CD2-CD1 4.41Å; L452-Y469 HydrophobicContact CD2-CE1 4.05Å; V464-Y469 WeakPolarHBondContact CG1-OH 3.45Å; V464-Y469 WeakPolarHBondContact O-CE2 3.15Å; V464-Y469 PolarHBondContact O-OH 2.68Å; F467-Y469 HydrophobicContact CB-CE1 4.23Å; F467-Y469 HydrophobicContact CB-CE2 4.17Å; F467-Y469 WeakPolarHBondContact O-CD2 3.3Å; F467-Y469 WeakPolarHBondContact O-CE2 2.85Å; F467-Y469 PolarHBondContact O-N 3.08Å; Y469-D471 PolarHBondContact O-N 3.17Å; Y469-L472 WeakPolarHBondContact O-CA 3.16Å; Y469-L472 WeakPolarHBondContact O-CB 3.09Å; Y469-L472 PolarHBondContact O-N 2.81Å; Y469-E473 PolarHBondContact O-N 3.32Å; Y469-F476 HydrophobicContact CD1-CB 4.32Å; Y469-F476 HydrophobicContact CD1-CD2 4.46Å; Y469-F476 HydrophobicContact CD2-CB 4.1Å; Y469-F476 HydrophobicContact CD2-CD1 4.03Å; Y469-F476 HydrophobicContact CD2-CD2 4.08Å; Y469-F476 AromaticContact CD2-CG 3.78Å; Y469-F476 HydrophobicContact CD2-CG 3.78Å; Y469-F476 AromaticContact CE1-CD2 3.97Å; Y469-F476 HydrophobicContact CE1-CD2 3.97Å; Y469-F476 HydrophobicContact CE1-CG 4.45Å; Y469-F476 HydrophobicContact CE2-CB 4.43Å; Y469-F476 HydrophobicContact CE2-CD1 4.01Å; Y469-F476 AromaticContact CE2-CD2 3.55Å; Y469-F476 HydrophobicContact CE2-CD2 3.55Å; Y469-F476 HydrophobicContact CE2-CE1 4.16Å; Y469-F476 AromaticContact CE2-CE2 3.68Å; Y469-F476 HydrophobicContact CE2-CE2 3.68Å; Y469-F476 AromaticContact CE2-CG 3.71Å; Y469-F476 HydrophobicContact CE2-CG 3.71Å; Y469-F476 AromaticContact CE2-CZ 3.98Å; Y469-F476 HydrophobicContact CE2-CZ 3.98Å; Y469-F476 HydrophobicContact CG-CB 4.04Å; Y469-F476 HydrophobicContact CG-CG 4.19Å; Y469-F476 AromaticContact CZ-CD2 3.48Å; Y469-F476 VanDerWaalsContact CZ-CD2 3.48Å; Y469-F476 AromaticContact CZ-CE2 3.67Å; Y469-Y501 AromaticContact CD2-CE2 3.88Å; Y469-Y501 HydrophobicContact CD2-CE2 3.88Å; Y469-Y501 AromaticContact CE2-CE2 3.83Å; Y469-Y501 HydrophobicContact CE2-CE2 3.83Å | ||
| 470 | G | 83.1 | Confident | 86.8 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 49% | 0.485 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | 47.1 | -127.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M468 L472 E473 | M468-G470 PolarHBondContact O-N 3.23Å; M468-G470 VanDerWaalsContact O-N 3.14Å; G470-L472 PolarHBondContact O-N 2.93Å; G470-L472 VanDerWaalsContact O-N 3.14Å; G470-E473 WeakPolarHBondContact O-CB 3.47Å; G470-E473 PolarHBondContact O-N 2.93Å |
| 471 | D | 83.2 | Confident | 86.9 | Confident | 133 Ų | 133 | 50 Ų | 50 | 71% | 0.711 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -64.5 | -14.3 | 179 | -72.4 | -13.4 | 0 | 0 | 0 | 114.6 | R441 Y469 | R441-D471 PolarHBondContact NH2-O 3.39Å; Y469-D471 PolarHBondContact O-N 3.17Å |
| 472 | L | 86.9 | Confident | 86.8 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -96.4 | 1.8 | 179.2 | -56.6 | 176.2 | 0 | 0 | 0 | 113.3 | L436 E445 L448 Y469 G470 T474 R475 F476 | L436-L472 HydrophobicContact CD2-CD1 3.95Å; L436-L472 HydrophobicContact CD2-CG 4.05Å; E445-L472 HydrophobicContact CG-CD2 3.83Å; L448-L472 HydrophobicContact CB-CD1 4.27Å; L448-L472 HydrophobicContact CD2-CB 3.69Å; L448-L472 HydrophobicContact CD2-CD1 4.24Å; Y469-L472 WeakPolarHBondContact O-CA 3.16Å; Y469-L472 WeakPolarHBondContact O-CB 3.09Å; Y469-L472 PolarHBondContact O-N 2.81Å; G470-L472 PolarHBondContact O-N 2.93Å; G470-L472 VanDerWaalsContact O-N 3.14Å; L472-T474 PolarHBondContact O-N 2.86Å; L472-R475 WeakPolarHBondContact O-CA 3.25Å; L472-R475 WeakPolarHBondContact O-CB 3.34Å; L472-R475 PolarHBondContact O-N 3.05Å; L472-F476 PolarHBondContact O-N 3.43Å |
| 473 | E | 86.9 | Confident | 86.8 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.1 | -37.9 | 177.6 | 167.7 | 162.8 | -147.3 | 0 | 0 | 112.5 | Y469 G470 R475 F476 V477 Y501 R505 | Y469-E473 PolarHBondContact O-N 3.32Å; G470-E473 WeakPolarHBondContact O-CB 3.47Å; G470-E473 PolarHBondContact O-N 2.93Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 3.09Å; E473-F476 PolarHBondContact O-N 3.2Å; E473-V477 WeakPolarHBondContact O-CG2 3.24Å; E473-V477 PolarHBondContact O-N 3.2Å; E473-Y501 VanDerWaalsContact CD-OH 3.29Å; E473-Y501 WeakPolarHBondContact CG-OH 3.3Å; E473-Y501 PolarHBondContact OE1-OH 3.21Å; E473-R505 WeakPolarHBondContact OE1-CD 3.42Å; E473-R505 IonicContact OE1-CZ 3.54Å; E473-R505 IonicContact OE1-NE 2.59Å; E473-R505 PolarHBondContact OE1-NE 3.14Å |
| 474 | T | 88.1 | Confident | 86.8 | Confident | 93 Ų | 93 | 46.5 Ų | 46.5 | 57% | 0.571 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.8 | -38.9 | 176.1 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | L472 I478 | L472-T474 PolarHBondContact O-N 2.86Å; T474-I478 HydrophobicContact CG2-CD1 3.93Å; T474-I478 WeakPolarHBondContact O-CB 3.48Å; T474-I478 WeakPolarHBondContact O-CD1 3.38Å; T474-I478 VanDerWaalsContact O-CG1 3.22Å; T474-I478 WeakPolarHBondContact O-CG1 3.22Å; T474-I478 PolarHBondContact O-N 3.07Å; T474-I478 VanDerWaalsContact O-N 3.13Å |
| 475 | R | 90.1 | Very high | 86.5 | Confident | 73 Ų | 73 | 49.2 Ų | 49.2 | 28% | 0.275 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 177.4 | 177.7 | 59.6 | -177.6 | 169.8 | -2.8 | 111.1 | E445 L448 D449 L472 E473 I478 Y479 | E445-R475 HydrophobicContact CB-CG 4.32Å; E445-R475 HydrophobicContact CG-CB 4.36Å; E445-R475 HydrophobicContact CG-CG 4.12Å; L448-R475 HydrophobicContact CD2-CB 4.34Å; L448-R475 HydrophobicContact CD2-CG 4.26Å; D449-R475 IonicContact OD1-CZ 2.62Å; D449-R475 IonicContact OD1-NE 3.89Å; D449-R475 PolarHBondContact OD1-NE 3.31Å; D449-R475 IonicContact OD1-NH2 3.34Å; D449-R475 PolarHBondContact OD1-NH2 2.86Å; D449-R475 IonicContact OD2-CZ 3.04Å; D449-R475 IonicContact OD2-NE 2.66Å; D449-R475 IonicContact OD2-NH2 3.23Å; D449-R475 PolarHBondContact OD2-NH2 3.2Å; L472-R475 WeakPolarHBondContact O-CA 3.25Å; L472-R475 WeakPolarHBondContact O-CB 3.34Å; L472-R475 PolarHBondContact O-N 3.05Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 3.09Å; R475-I478 PolarHBondContact O-N 2.91Å; R475-Y479 VanDerWaalsContact O-CB 3.26Å; R475-Y479 WeakPolarHBondContact O-CB 3.43Å; R475-Y479 PolarHBondContact O-N 2.86Å |
| 476 | F | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.5 | -53.1 | 174.1 | 167.8 | -96.5 | 0 | 0 | 0 | 111.4 | L448 L452 V464 Y469 L472 E473 I478 Y479 M480 Y501 | L448-F476 HydrophobicContact CD2-CB 4.43Å; L452-F476 HydrophobicContact CD1-CD2 3.87Å; L452-F476 HydrophobicContact CD2-CD2 3.76Å; L452-F476 HydrophobicContact CD2-CE2 3.92Å; L452-F476 HydrophobicContact CG-CD2 4.49Å; V464-F476 HydrophobicContact CG1-CE2 3.71Å; V464-F476 HydrophobicContact CG1-CZ 4.26Å; Y469-F476 HydrophobicContact CD1-CB 4.32Å; Y469-F476 HydrophobicContact CD1-CD2 4.46Å; Y469-F476 HydrophobicContact CD2-CB 4.1Å; Y469-F476 HydrophobicContact CD2-CD1 4.03Å; Y469-F476 HydrophobicContact CD2-CD2 4.08Å; Y469-F476 AromaticContact CD2-CG 3.78Å; Y469-F476 HydrophobicContact CD2-CG 3.78Å; Y469-F476 AromaticContact CE1-CD2 3.97Å; Y469-F476 HydrophobicContact CE1-CD2 3.97Å; Y469-F476 HydrophobicContact CE1-CG 4.45Å; Y469-F476 HydrophobicContact CE2-CB 4.43Å; Y469-F476 HydrophobicContact CE2-CD1 4.01Å; Y469-F476 AromaticContact CE2-CD2 3.55Å; Y469-F476 HydrophobicContact CE2-CD2 3.55Å; Y469-F476 HydrophobicContact CE2-CE1 4.16Å; Y469-F476 AromaticContact CE2-CE2 3.68Å; Y469-F476 HydrophobicContact CE2-CE2 3.68Å; Y469-F476 AromaticContact CE2-CG 3.71Å; Y469-F476 HydrophobicContact CE2-CG 3.71Å; Y469-F476 AromaticContact CE2-CZ 3.98Å; Y469-F476 HydrophobicContact CE2-CZ 3.98Å; Y469-F476 HydrophobicContact CG-CB 4.04Å; Y469-F476 HydrophobicContact CG-CG 4.19Å; Y469-F476 AromaticContact CZ-CD2 3.48Å; Y469-F476 VanDerWaalsContact CZ-CD2 3.48Å; Y469-F476 AromaticContact CZ-CE2 3.67Å; L472-F476 PolarHBondContact O-N 3.43Å; E473-F476 PolarHBondContact O-N 3.2Å; F476-I478 PolarHBondContact O-N 3.16Å; F476-Y479 PolarHBondContact O-N 3.14Å; F476-M480 HydrophobicContact CD1-CG 4.45Å; F476-M480 HydrophobicContact CD2-CG 3.92Å; F476-M480 HydrophobicContact CE1-CG 4.06Å; F476-M480 HydrophobicContact CE2-CE 4.01Å; F476-M480 HydrophobicContact CE2-CG 3.52Å; F476-M480 HydrophobicContact CE2-SD 3.99Å; F476-M480 HydrophobicContact CG-CG 4.38Å; F476-M480 HydrophobicContact CZ-CE 4.02Å; F476-M480 HydrophobicContact CZ-CG 3.61Å; F476-M480 HydrophobicContact CZ-SD 4.39Å; F476-M480 VanDerWaalsContact O-CG 3.24Å; F476-M480 WeakPolarHBondContact O-CG 3.42Å; F476-M480 PolarHBondContact O-N 2.79Å; F476-Y501 HydrophobicContact CD1-CD2 4.17Å; F476-Y501 HydrophobicContact CD1-CE1 4.14Å; F476-Y501 AromaticContact CD1-CE2 3.54Å; F476-Y501 HydrophobicContact CD1-CE2 3.54Å; F476-Y501 AromaticContact CD1-CZ 3.52Å; F476-Y501 AromaticContact CE1-CD1 4Å; F476-Y501 HydrophobicContact CE1-CD1 4Å; F476-Y501 AromaticContact CE1-CD2 3.27Å; F476-Y501 HydrophobicContact CE1-CD2 3.27Å; F476-Y501 AromaticContact CE1-CE1 3.91Å; F476-Y501 HydrophobicContact CE1-CE1 3.91Å; F476-Y501 AromaticContact CE1-CE2 3.09Å; F476-Y501 HydrophobicContact CE1-CE2 3.09Å; F476-Y501 AromaticContact CE1-CG 3.69Å; F476-Y501 HydrophobicContact CE1-CG 3.69Å; F476-Y501 AromaticContact CE1-CZ 3.44Å; F476-Y501 VanDerWaalsContact CE1-CZ 3.44Å; F476-Y501 AromaticContact CZ-CD2 3.7Å; F476-Y501 HydrophobicContact CZ-CD2 3.7Å; F476-Y501 AromaticContact CZ-CE2 3.79Å; F476-Y501 HydrophobicContact CZ-CE2 3.79Å; F476-Y501 HydrophobicContact CZ-CG 4.3Å |
| 477 | V | 90.7 | Very high | 84.8 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | -178.7 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | E473 Y479 M480 E481 Y501 F502 | E473-V477 WeakPolarHBondContact O-CG2 3.24Å; E473-V477 PolarHBondContact O-N 3.2Å; V477-Y479 PolarHBondContact O-N 2.84Å; V477-M480 PolarHBondContact O-N 2.88Å; V477-E481 HydrophobicContact CG1-CG 4.28Å; V477-E481 WeakPolarHBondContact O-CB 3.44Å; V477-E481 VanDerWaalsContact O-CG 3.31Å; V477-E481 WeakPolarHBondContact O-CG 3.48Å; V477-E481 PolarHBondContact O-N 3.47Å; V477-Y501 HydrophobicContact CG2-CE1 4.04Å; V477-F502 HydrophobicContact CG1-CZ 4.17Å; V477-F502 HydrophobicContact CG2-CZ 4.03Å |
| 478 | I | 88.4 | Confident | 83.7 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 176.7 | -68.4 | 168.4 | 0 | 0 | 0 | 111.1 | T474 R475 F476 M480 E481 D482 | T474-I478 HydrophobicContact CG2-CD1 3.93Å; T474-I478 WeakPolarHBondContact O-CB 3.48Å; T474-I478 WeakPolarHBondContact O-CD1 3.38Å; T474-I478 VanDerWaalsContact O-CG1 3.22Å; T474-I478 WeakPolarHBondContact O-CG1 3.22Å; T474-I478 PolarHBondContact O-N 3.07Å; T474-I478 VanDerWaalsContact O-N 3.13Å; R475-I478 PolarHBondContact O-N 2.91Å; F476-I478 PolarHBondContact O-N 3.16Å; I478-M480 VanDerWaalsContact C-N 3.35Å; I478-M480 PolarHBondContact O-N 2.78Å; I478-E481 PolarHBondContact O-N 2.87Å; I478-D482 WeakPolarHBondContact O-CB 3.29Å; I478-D482 VanDerWaalsContact O-CG 3.26Å; I478-D482 PolarHBondContact O-N 2.8Å |
| 479 | Y | 88.8 | Confident | 82.7 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 178.7 | 178.5 | -91.4 | 0 | 0 | 0 | 111.4 | D449 L452 V453 I456 R475 F476 V477 K483 | D449-Y479 HydrophobicContact CB-CE2 4.46Å; L452-Y479 HydrophobicContact CB-CD1 4.34Å; L452-Y479 HydrophobicContact CB-CE1 3.92Å; L452-Y479 HydrophobicContact CD1-CD1 3.62Å; L452-Y479 HydrophobicContact CD1-CE1 4.07Å; L452-Y479 HydrophobicContact CD1-CG 4.09Å; V453-Y479 VanDerWaalsContact CG2-OH 3.25Å; V453-Y479 WeakPolarHBondContact CG2-OH 3.5Å; I456-Y479 HydrophobicContact CD1-CE1 4.41Å; R475-Y479 VanDerWaalsContact O-CB 3.26Å; R475-Y479 WeakPolarHBondContact O-CB 3.43Å; R475-Y479 PolarHBondContact O-N 2.86Å; F476-Y479 PolarHBondContact O-N 3.14Å; V477-Y479 PolarHBondContact O-N 2.84Å; Y479-K483 HydrophobicContact CD1-CG 4.34Å; Y479-K483 HydrophobicContact CE1-CG 4Å; Y479-K483 HydrophobicContact CE2-CG 4.48Å; Y479-K483 VanDerWaalsContact O-CG 3.23Å; Y479-K483 WeakPolarHBondContact O-CG 3.47Å; Y479-K483 PolarHBondContact O-N 2.81Å; Y479-K483 WeakPolarHBondContact OH-CE 3.31Å |
| 480 | M | 88.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 179.3 | -63.8 | -60.9 | -93.8 | 0 | 0 | 112 | I456 V464 F476 V477 I478 K483 A484 Y494 M497 L498 | I456-M480 HydrophobicContact CD1-SD 4.23Å; V464-M480 HydrophobicContact CG1-CE 4.22Å; F476-M480 HydrophobicContact CD1-CG 4.45Å; F476-M480 HydrophobicContact CD2-CG 3.92Å; F476-M480 HydrophobicContact CE1-CG 4.06Å; F476-M480 HydrophobicContact CE2-CE 4.01Å; F476-M480 HydrophobicContact CE2-CG 3.52Å; F476-M480 HydrophobicContact CE2-SD 3.99Å; F476-M480 HydrophobicContact CG-CG 4.38Å; F476-M480 HydrophobicContact CZ-CE 4.02Å; F476-M480 HydrophobicContact CZ-CG 3.61Å; F476-M480 HydrophobicContact CZ-SD 4.39Å; F476-M480 VanDerWaalsContact O-CG 3.24Å; F476-M480 WeakPolarHBondContact O-CG 3.42Å; F476-M480 PolarHBondContact O-N 2.79Å; V477-M480 PolarHBondContact O-N 2.88Å; I478-M480 VanDerWaalsContact C-N 3.35Å; I478-M480 PolarHBondContact O-N 2.78Å; M480-K483 PolarHBondContact O-N 2.8Å; M480-A484 VanDerWaalsContact O-CB 3.28Å; M480-A484 WeakPolarHBondContact O-CB 3.36Å; M480-A484 PolarHBondContact O-N 2.89Å; M480-Y494 HydrophobicContact CE-CD1 4.16Å; M480-Y494 HydrophobicContact SD-CD1 3.91Å; M480-Y494 HydrophobicContact SD-CE1 4.22Å; M480-M497 HydrophobicContact CE-CB 3.52Å; M480-M497 HydrophobicContact CE-CE 3.62Å; M480-M497 HydrophobicContact CE-CG 4.1Å; M480-M497 HydrophobicContact CE-SD 3.49Å; M480-M497 WeakPolarHBondContact CE-SD 3.3Å; M480-L498 HydrophobicContact CB-CD1 4.31Å; M480-L498 HydrophobicContact CB-CD2 3.7Å; M480-L498 HydrophobicContact CB-CG 3.94Å |
| 481 | E | 87.2 | Confident | 81.5 | Confident | 39 Ų | 39 | 62 Ų | 62 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 174.2 | -79.1 | -172.2 | -171.4 | 0 | 0 | 112.1 | V477 I478 K483 A484 R485 L498 Y514 | V477-E481 HydrophobicContact CG1-CG 4.28Å; V477-E481 WeakPolarHBondContact O-CB 3.44Å; V477-E481 VanDerWaalsContact O-CG 3.31Å; V477-E481 WeakPolarHBondContact O-CG 3.48Å; V477-E481 PolarHBondContact O-N 3.47Å; I478-E481 PolarHBondContact O-N 2.87Å; E481-K483 VanDerWaalsContact C-N 3.33Å; E481-K483 PolarHBondContact O-N 3.45Å; E481-A484 PolarHBondContact O-N 3.25Å; E481-R485 WeakPolarHBondContact O-CB 3.34Å; E481-R485 WeakPolarHBondContact O-CG 3.31Å; E481-R485 PolarHBondContact O-N 3.23Å; E481-R485 IonicContact OE2-CZ 3.54Å; E481-R485 IonicContact OE2-NH1 2.79Å; E481-R485 PolarHBondContact OE2-NH1 3Å; E481-R485 IonicContact OE2-NH2 3.42Å; E481-L498 HydrophobicContact CG-CD1 4.25Å; E481-Y514 HydrophobicContact CG-CE1 3.92Å; E481-Y514 PolarHBondContact OE1-OH 2.75Å |
| 482 | D | 84.6 | Confident | 81.3 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.6 | -51.9 | 176.5 | -75.9 | -17.7 | 0 | 0 | 0 | 109 | I478 A484 R485 F486 | I478-D482 WeakPolarHBondContact O-CB 3.29Å; I478-D482 VanDerWaalsContact O-CG 3.26Å; I478-D482 PolarHBondContact O-N 2.8Å; D482-A484 PolarHBondContact O-N 3.14Å; D482-R485 PolarHBondContact O-N 3.21Å; D482-F486 HydrophobicContact CB-CD2 4.46Å; D482-F486 HydrophobicContact CB-CE2 4.38Å; D482-F486 WeakPolarHBondContact O-CD2 3.37Å; D482-F486 PolarHBondContact O-N 3.03Å |
| 483 | K | 84.8 | Confident | 81.1 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.9 | -33.2 | -179.2 | -65.2 | -67.2 | -178.5 | 178.7 | 0 | 114 | Y479 M480 E481 Y494 | Y479-K483 HydrophobicContact CD1-CG 4.34Å; Y479-K483 HydrophobicContact CE1-CG 4Å; Y479-K483 HydrophobicContact CE2-CG 4.48Å; Y479-K483 VanDerWaalsContact O-CG 3.23Å; Y479-K483 WeakPolarHBondContact O-CG 3.47Å; Y479-K483 PolarHBondContact O-N 2.81Å; Y479-K483 WeakPolarHBondContact OH-CE 3.31Å; M480-K483 PolarHBondContact O-N 2.8Å; E481-K483 VanDerWaalsContact C-N 3.33Å; E481-K483 PolarHBondContact O-N 3.45Å; K483-Y494 HydrophobicContact CB-CD1 3.54Å; K483-Y494 HydrophobicContact CB-CD2 3.86Å; K483-Y494 HydrophobicContact CB-CE1 3.36Å; K483-Y494 HydrophobicContact CB-CE2 3.75Å; K483-Y494 HydrophobicContact CB-CG 3.8Å; K483-Y494 HydrophobicContact CG-CD1 4.43Å; K483-Y494 HydrophobicContact CG-CE1 3.85Å |
| 484 | A | 83.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M480 E481 D482 Y495 L498 | M480-A484 VanDerWaalsContact O-CB 3.28Å; M480-A484 WeakPolarHBondContact O-CB 3.36Å; M480-A484 PolarHBondContact O-N 2.89Å; E481-A484 PolarHBondContact O-N 3.25Å; D482-A484 PolarHBondContact O-N 3.14Å; A484-Y495 HydrophobicContact CB-CD1 4.2Å; A484-Y495 HydrophobicContact CB-CD2 4.18Å; A484-Y495 HydrophobicContact CB-CE1 4.03Å; A484-Y495 HydrophobicContact CB-CE2 3.98Å; A484-Y495 HydrophobicContact CB-CG 4.25Å; A484-Y495 WeakPolarHBondContact O-CE2 3.24Å; A484-Y495 PolarHBondContact O-OH 3.02Å; A484-L498 HydrophobicContact CB-CD1 4.05Å |
| 485 | R | 81.2 | Confident | 81.3 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -81.6 | -24.9 | -178.7 | -68.7 | 176.7 | 179.9 | 137.8 | 8.2 | 112.7 | E481 D482 E517 R521 | E481-R485 WeakPolarHBondContact O-CB 3.34Å; E481-R485 WeakPolarHBondContact O-CG 3.31Å; E481-R485 PolarHBondContact O-N 3.23Å; E481-R485 IonicContact OE2-CZ 3.54Å; E481-R485 IonicContact OE2-NH1 2.79Å; E481-R485 PolarHBondContact OE2-NH1 3Å; E481-R485 IonicContact OE2-NH2 3.42Å; D482-R485 PolarHBondContact O-N 3.21Å; R485-E517 IonicContact CZ-OE1 3.75Å; R485-E517 IonicContact NE-OE1 2.74Å; R485-E517 PolarHBondContact NE-OE1 2.93Å; R485-E517 VanDerWaalsContact NE-OE1 3.08Å; R485-E517 IonicContact NH2-OE1 2.82Å; R485-E517 IonicContact NH2-OE2 3.12Å; R485-R521 PolarHBondContact O-NH1 3.31Å; R485-R521 PolarHBondContact O-NH2 2.92Å |
| 486 | F | 74.9 | Confident | 81.2 | Confident | 130 Ų | 130 | 50.3 Ų | 50.3 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -68.7 | 144.9 | 170.8 | -83.1 | -67.6 | 0 | 0 | 0 | 112.4 | D482 N488 | D482-F486 HydrophobicContact CB-CD2 4.46Å; D482-F486 HydrophobicContact CB-CE2 4.38Å; D482-F486 WeakPolarHBondContact O-CD2 3.37Å; D482-F486 PolarHBondContact O-N 3.03Å; F486-N488 VanDerWaalsContact C-N 3.27Å; F486-N488 PolarHBondContact O-N 2.85Å |
| 487 | F | 64.6 | Low | 81.1 | Confident | 175 Ų | 175 | 50.7 Ų | 50.7 | 77% | 0.768 | 26% | 0.259 | S | S | * | . | trans | -74 | 80.9 | 177.9 | -142.7 | -86.3 | 0 | 0 | 0 | 109.7 | ||||
| 488 | N | 62.7 | Low | 81.1 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | trans | -116.6 | 141.6 | 176.8 | -171.8 | -17.1 | 0 | 0 | 0 | 108.8 | F486 L490 S491 | F486-N488 VanDerWaalsContact C-N 3.27Å; F486-N488 PolarHBondContact O-N 2.85Å; N488-L490 PolarHBondContact O-N 2.98Å; N488-L490 VanDerWaalsContact O-N 3.1Å; N488-L490 PolarHBondContact OD1-N 3.04Å; N488-S491 WeakPolarHBondContact O-CB 3.34Å; N488-S491 PolarHBondContact O-N 2.66Å; N488-S491 PolarHBondContact O-OG 3.23Å | ||
| 489 | P | 61.8 | Low | 81.3 | Confident | 132 Ų | 132 | 49 Ų | 49 | 86% | 0.857 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -28.5 | 168.2 | 13.3 | -28.7 | 0 | 0 | 0 | 113.8 | S491 | P489-S491 VanDerWaalsContact C-N 3.34Š|
| 490 | L | 68 | Low | 81.4 | Confident | 66 Ų | 66 | 50 Ų | 50 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 1.5 | 174.9 | -68.7 | 169.2 | 0 | 0 | 0 | 114.5 | I456 N488 S492 A493 Y494 | I456-L490 HydrophobicContact CG2-CD1 4.38Å; N488-L490 PolarHBondContact O-N 2.98Å; N488-L490 VanDerWaalsContact O-N 3.1Å; N488-L490 PolarHBondContact OD1-N 3.04Å; L490-S492 VanDerWaalsContact C-N 3.25Å; L490-S492 PolarHBondContact O-N 3.34Å; L490-A493 HydrophobicContact CD2-CB 4.41Å; L490-A493 WeakPolarHBondContact O-CA 3.18Å; L490-A493 WeakPolarHBondContact O-CB 3.29Å; L490-A493 PolarHBondContact O-N 3.27Å; L490-Y494 HydrophobicContact CB-CD2 4.05Å; L490-Y494 HydrophobicContact CB-CE2 3.54Å; L490-Y494 WeakPolarHBondContact O-CD2 3.5Å; L490-Y494 PolarHBondContact O-N 3.16Å |
| 491 | S | 75.9 | Confident | 81.6 | Confident | 19 Ų | 19 | 50 Ų | 50 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.3 | -41.3 | -177.5 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | N488 P489 A493 Y494 Y495 | N488-S491 WeakPolarHBondContact O-CB 3.34Å; N488-S491 PolarHBondContact O-N 2.66Å; N488-S491 PolarHBondContact O-OG 3.23Å; P489-S491 VanDerWaalsContact C-N 3.34Å; S491-A493 PolarHBondContact O-N 3.15Å; S491-Y494 PolarHBondContact O-N 2.62Å; S491-Y495 WeakPolarHBondContact O-CD2 3.17Å; S491-Y495 PolarHBondContact O-N 3.11Å |
| 492 | S | 79.5 | Confident | 81.9 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 173.7 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | L490 Y494 Y495 D496 K518 E536 | L490-S492 VanDerWaalsContact C-N 3.25Å; L490-S492 PolarHBondContact O-N 3.34Å; S492-Y494 PolarHBondContact O-N 2.95Å; S492-Y495 PolarHBondContact O-N 3.09Å; S492-D496 VanDerWaalsContact O-CG 3.25Å; S492-D496 PolarHBondContact O-N 2.94Å; S492-K518 WeakPolarHBondContact OG-CE 3.36Å; S492-K518 PolarHBondContact OG-NZ 3.5Å; S492-E536 PolarHBondContact OG-OE2 3.45Å |
| 493 | A | 83.1 | Confident | 82.2 | Confident | 22 Ų | 22 | 47 Ų | 47 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -34.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L490 S491 D496 M497 | L490-A493 HydrophobicContact CD2-CB 4.41Å; L490-A493 WeakPolarHBondContact O-CA 3.18Å; L490-A493 WeakPolarHBondContact O-CB 3.29Å; L490-A493 PolarHBondContact O-N 3.27Å; S491-A493 PolarHBondContact O-N 3.15Å; A493-D496 PolarHBondContact O-N 2.78Å; A493-M497 WeakPolarHBondContact O-CB 3.46Å; A493-M497 WeakPolarHBondContact O-CE 2.98Å; A493-M497 WeakPolarHBondContact O-CG 3.38Å; A493-M497 PolarHBondContact O-N 2.78Å |
| 494 | Y | 88.1 | Confident | 82.3 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 174.8 | -67.6 | -77.5 | 0 | 0 | 0 | 112.4 | I456 M480 K483 L490 S491 S492 D496 M497 L498 | I456-Y494 HydrophobicContact CD1-CE1 3.76Å; M480-Y494 HydrophobicContact CE-CD1 4.16Å; M480-Y494 HydrophobicContact SD-CD1 3.91Å; M480-Y494 HydrophobicContact SD-CE1 4.22Å; K483-Y494 HydrophobicContact CB-CD1 3.54Å; K483-Y494 HydrophobicContact CB-CD2 3.86Å; K483-Y494 HydrophobicContact CB-CE1 3.36Å; K483-Y494 HydrophobicContact CB-CE2 3.75Å; K483-Y494 HydrophobicContact CB-CG 3.8Å; K483-Y494 HydrophobicContact CG-CD1 4.43Å; K483-Y494 HydrophobicContact CG-CE1 3.85Å; L490-Y494 HydrophobicContact CB-CD2 4.05Å; L490-Y494 HydrophobicContact CB-CE2 3.54Å; L490-Y494 WeakPolarHBondContact O-CD2 3.5Å; L490-Y494 PolarHBondContact O-N 3.16Å; S491-Y494 PolarHBondContact O-N 2.62Å; S492-Y494 PolarHBondContact O-N 2.95Å; Y494-D496 VanDerWaalsContact C-N 3.32Å; Y494-M497 HydrophobicContact CD1-CE 3.69Å; Y494-M497 HydrophobicContact CE1-CE 4.11Å; Y494-M497 HydrophobicContact CG-CE 4.17Å; Y494-M497 PolarHBondContact O-N 3.01Å; Y494-L498 WeakPolarHBondContact O-CB 3.22Å; Y494-L498 WeakPolarHBondContact O-CG 3.38Å; Y494-L498 PolarHBondContact O-N 3.45Å |
| 495 | Y | 89.8 | Confident | 82.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 171.8 | -74.8 | -70.9 | 0 | 0 | 0 | 111.7 | A484 S491 S492 L498 Y499 Y514 E517 K518 | A484-Y495 HydrophobicContact CB-CD1 4.2Å; A484-Y495 HydrophobicContact CB-CD2 4.18Å; A484-Y495 HydrophobicContact CB-CE1 4.03Å; A484-Y495 HydrophobicContact CB-CE2 3.98Å; A484-Y495 HydrophobicContact CB-CG 4.25Å; A484-Y495 WeakPolarHBondContact O-CE2 3.24Å; A484-Y495 PolarHBondContact O-OH 3.02Å; S491-Y495 WeakPolarHBondContact O-CD2 3.17Å; S491-Y495 PolarHBondContact O-N 3.11Å; S492-Y495 PolarHBondContact O-N 3.09Å; Y495-L498 PolarHBondContact O-N 3.22Å; Y495-Y499 VanDerWaalsContact O-CB 3.31Å; Y495-Y499 WeakPolarHBondContact O-CB 3.2Å; Y495-Y499 PolarHBondContact O-N 3.39Å; Y495-Y514 WeakPolarHBondContact CD1-O 3.48Å; Y495-E517 HydrophobicContact CE1-CB 4.04Å; Y495-E517 HydrophobicContact CE1-CG 3.94Å; Y495-K518 HydrophobicContact CD1-CB 4.23Å; Y495-K518 HydrophobicContact CD2-CB 4.16Å; Y495-K518 HydrophobicContact CD2-CG 4.23Å; Y495-K518 HydrophobicContact CG-CB 3.83Å; Y495-K518 HydrophobicContact CG-CG 4.23Å |
| 496 | D | 88.8 | Confident | 82.9 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 178 | -64.1 | -24.3 | 0 | 0 | 0 | 111.8 | S492 A493 Y494 Y499 A500 K518 | S492-D496 VanDerWaalsContact O-CG 3.25Å; S492-D496 PolarHBondContact O-N 2.94Å; A493-D496 PolarHBondContact O-N 2.78Å; Y494-D496 VanDerWaalsContact C-N 3.32Å; D496-Y499 PolarHBondContact O-N 2.96Å; D496-A500 VanDerWaalsContact O-CB 3.28Å; D496-A500 WeakPolarHBondContact O-CB 3.35Å; D496-A500 PolarHBondContact O-N 2.92Å; D496-K518 IonicContact OD1-NZ 2.78Å; D496-K518 PolarHBondContact OD1-NZ 2.78Å; D496-K518 IonicContact OD2-NZ 3.72Å; D496-K518 PolarHBondContact OD2-NZ 3.46Å |
| 497 | M | 89 | Confident | 83.7 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 173.1 | -75 | -174.4 | -77.2 | 0 | 0 | 111.8 | I456 F461 V464 V465 M480 A493 Y494 A500 Y501 | I456-M497 HydrophobicContact CD1-CE 4.36Å; I456-M497 HydrophobicContact CG1-CE 4.41Å; F461-M497 HydrophobicContact CB-CG 4.18Å; F461-M497 HydrophobicContact CB-SD 4.12Å; F461-M497 HydrophobicContact CD1-CE 3.94Å; F461-M497 HydrophobicContact CD1-CG 4.31Å; F461-M497 HydrophobicContact CD1-SD 3.43Å; F461-M497 WeakPolarHBondContact CD1-SD 3.45Å; F461-M497 HydrophobicContact CE1-CE 4.15Å; F461-M497 HydrophobicContact CE1-SD 4.22Å; F461-M497 HydrophobicContact CG-SD 4.14Å; V464-M497 HydrophobicContact CG1-SD 4.42Å; V465-M497 HydrophobicContact CG2-CB 4.38Å; V465-M497 HydrophobicContact CG2-CG 4.48Å; M480-M497 HydrophobicContact CE-CB 3.52Å; M480-M497 HydrophobicContact CE-CE 3.62Å; M480-M497 HydrophobicContact CE-CG 4.1Å; M480-M497 HydrophobicContact CE-SD 3.49Å; M480-M497 WeakPolarHBondContact CE-SD 3.3Å; A493-M497 WeakPolarHBondContact O-CB 3.46Å; A493-M497 WeakPolarHBondContact O-CE 2.98Å; A493-M497 WeakPolarHBondContact O-CG 3.38Å; A493-M497 PolarHBondContact O-N 2.78Å; Y494-M497 HydrophobicContact CD1-CE 3.69Å; Y494-M497 HydrophobicContact CE1-CE 4.11Å; Y494-M497 HydrophobicContact CG-CE 4.17Å; Y494-M497 PolarHBondContact O-N 3.01Å; M497-A500 PolarHBondContact O-N 3.43Å; M497-Y501 WeakPolarHBondContact O-CB 3.36Å; M497-Y501 PolarHBondContact O-N 3.31Å |
| 498 | L | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 173.8 | -76.5 | 166.8 | 0 | 0 | 0 | 111.2 | M480 E481 A484 Y494 Y495 Y501 F502 Y514 | M480-L498 HydrophobicContact CB-CD1 4.31Å; M480-L498 HydrophobicContact CB-CD2 3.7Å; M480-L498 HydrophobicContact CB-CG 3.94Å; E481-L498 HydrophobicContact CG-CD1 4.25Å; A484-L498 HydrophobicContact CB-CD1 4.05Å; Y494-L498 WeakPolarHBondContact O-CB 3.22Å; Y494-L498 WeakPolarHBondContact O-CG 3.38Å; Y494-L498 PolarHBondContact O-N 3.45Å; Y495-L498 PolarHBondContact O-N 3.22Å; L498-Y501 PolarHBondContact O-N 2.96Å; L498-F502 HydrophobicContact CD2-CE2 4.11Å; L498-F502 WeakPolarHBondContact O-CD2 3.23Å; L498-F502 PolarHBondContact O-N 2.81Å; L498-F502 VanDerWaalsContact O-N 3.08Å; L498-Y514 HydrophobicContact CB-CD1 4.28Å; L498-Y514 HydrophobicContact CB-CD2 4.08Å; L498-Y514 HydrophobicContact CB-CG 3.91Å; L498-Y514 HydrophobicContact CD1-CD1 3.84Å; L498-Y514 HydrophobicContact CD1-CE1 3.98Å; L498-Y514 HydrophobicContact CD1-CG 4.34Å |
| 499 | Y | 92.1 | Very high | 86.2 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.7 | -54.1 | 175 | 173.8 | -97.8 | 0 | 0 | 0 | 111 | Y495 D496 Y501 F502 V503 A511 A515 A543 A547 | Y495-Y499 VanDerWaalsContact O-CB 3.31Å; Y495-Y499 WeakPolarHBondContact O-CB 3.2Å; Y495-Y499 PolarHBondContact O-N 3.39Å; D496-Y499 PolarHBondContact O-N 2.96Å; Y499-Y501 VanDerWaalsContact C-N 3.35Å; Y499-Y501 PolarHBondContact O-N 3.42Å; Y499-F502 PolarHBondContact O-N 3.31Å; Y499-V503 HydrophobicContact CD1-CG2 4.25Å; Y499-V503 HydrophobicContact CD2-CG2 4.32Å; Y499-V503 HydrophobicContact CE1-CG2 3.88Å; Y499-V503 HydrophobicContact CE2-CG2 3.98Å; Y499-V503 HydrophobicContact CG-CG2 4.45Å; Y499-V503 VanDerWaalsContact O-CG2 3.3Å; Y499-V503 WeakPolarHBondContact O-CG2 3.36Å; Y499-V503 PolarHBondContact O-N 3.4Å; Y499-A511 HydrophobicContact CD2-CB 3.8Å; Y499-A511 WeakPolarHBondContact CD2-O 3.15Å; Y499-A511 HydrophobicContact CE2-CB 4Å; Y499-A515 HydrophobicContact CD2-CB 3.64Å; Y499-A515 HydrophobicContact CE2-CB 4.02Å; Y499-A515 HydrophobicContact CG-CB 4.48Å; Y499-A543 HydrophobicContact CE1-CB 4.41Å; Y499-A543 HydrophobicContact CE2-CB 3.91Å; Y499-A547 HydrophobicContact CE2-CB 4.11Å |
| 500 | A | 91.5 | Very high | 87.5 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 31% | 0.314 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.4 | -41.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V465 D496 M497 F502 V503 K504 | V465-A500 HydrophobicContact CG1-CB 4.1Å; V465-A500 HydrophobicContact CG2-CB 4.05Å; D496-A500 VanDerWaalsContact O-CB 3.28Å; D496-A500 WeakPolarHBondContact O-CB 3.35Å; D496-A500 PolarHBondContact O-N 2.92Å; M497-A500 PolarHBondContact O-N 3.43Å; A500-F502 PolarHBondContact O-N 3.1Å; A500-V503 PolarHBondContact O-N 3.36Å; A500-K504 WeakPolarHBondContact O-CB 3.36Å; A500-K504 PolarHBondContact O-N 2.97Å |
| 501 | Y | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -45.4 | 176.1 | -176.4 | -93.6 | 0 | 0 | 0 | 113.2 | Y469 E473 F476 V477 M497 L498 Y499 R505 | Y469-Y501 AromaticContact CD2-CE2 3.88Å; Y469-Y501 HydrophobicContact CD2-CE2 3.88Å; Y469-Y501 AromaticContact CE2-CE2 3.83Å; Y469-Y501 HydrophobicContact CE2-CE2 3.83Å; E473-Y501 VanDerWaalsContact CD-OH 3.29Å; E473-Y501 WeakPolarHBondContact CG-OH 3.3Å; E473-Y501 PolarHBondContact OE1-OH 3.21Å; F476-Y501 HydrophobicContact CD1-CD2 4.17Å; F476-Y501 HydrophobicContact CD1-CE1 4.14Å; F476-Y501 AromaticContact CD1-CE2 3.54Å; F476-Y501 HydrophobicContact CD1-CE2 3.54Å; F476-Y501 AromaticContact CD1-CZ 3.52Å; F476-Y501 AromaticContact CE1-CD1 4Å; F476-Y501 HydrophobicContact CE1-CD1 4Å; F476-Y501 AromaticContact CE1-CD2 3.27Å; F476-Y501 HydrophobicContact CE1-CD2 3.27Å; F476-Y501 AromaticContact CE1-CE1 3.91Å; F476-Y501 HydrophobicContact CE1-CE1 3.91Å; F476-Y501 AromaticContact CE1-CE2 3.09Å; F476-Y501 HydrophobicContact CE1-CE2 3.09Å; F476-Y501 AromaticContact CE1-CG 3.69Å; F476-Y501 HydrophobicContact CE1-CG 3.69Å; F476-Y501 AromaticContact CE1-CZ 3.44Å; F476-Y501 VanDerWaalsContact CE1-CZ 3.44Å; F476-Y501 AromaticContact CZ-CD2 3.7Å; F476-Y501 HydrophobicContact CZ-CD2 3.7Å; F476-Y501 AromaticContact CZ-CE2 3.79Å; F476-Y501 HydrophobicContact CZ-CE2 3.79Å; F476-Y501 HydrophobicContact CZ-CG 4.3Å; V477-Y501 HydrophobicContact CG2-CE1 4.04Å; M497-Y501 WeakPolarHBondContact O-CB 3.36Å; M497-Y501 PolarHBondContact O-N 3.31Å; L498-Y501 PolarHBondContact O-N 2.96Å; Y499-Y501 VanDerWaalsContact C-N 3.35Å; Y499-Y501 PolarHBondContact O-N 3.42Å; Y501-R505 VanDerWaalsContact CZ-NE 3.29Å; Y501-R505 VanDerWaalsContact CZ-NH2 3.28Å; Y501-R505 PolarHBondContact O-N 3.3Å; Y501-R505 PolarHBondContact OH-NE 2.98Å; Y501-R505 PolarHBondContact OH-NH2 3.05Å |
| 502 | F | 92.1 | Very high | 89.4 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -78.7 | -29.8 | 178.6 | -72.6 | -63.9 | 0 | 0 | 0 | 113 | V477 L498 Y499 A500 L506 N507 R510 A511 Y514 | V477-F502 HydrophobicContact CG1-CZ 4.17Å; V477-F502 HydrophobicContact CG2-CZ 4.03Å; L498-F502 HydrophobicContact CD2-CE2 4.11Å; L498-F502 WeakPolarHBondContact O-CD2 3.23Å; L498-F502 PolarHBondContact O-N 2.81Å; L498-F502 VanDerWaalsContact O-N 3.08Å; Y499-F502 PolarHBondContact O-N 3.31Å; A500-F502 PolarHBondContact O-N 3.1Å; F502-L506 PolarHBondContact O-N 3.02Å; F502-N507 HydrophobicContact CB-CB 4.38Å; F502-N507 HydrophobicContact CD1-CB 4.12Å; F502-N507 CarbonylContact O-C 3.54Å; F502-N507 WeakPolarHBondContact O-CA 2.98Å; F502-N507 PolarHBondContact O-N 3.35Å; F502-R510 HydrophobicContact CB-CB 4.15Å; F502-R510 HydrophobicContact CD1-CB 3.86Å; F502-R510 HydrophobicContact CD2-CB 4.11Å; F502-R510 HydrophobicContact CE1-CB 4.32Å; F502-R510 HydrophobicContact CG-CB 3.75Å; F502-A511 HydrophobicContact CB-CB 3.99Å; F502-Y514 AromaticContact CD2-CD2 3.6Å; F502-Y514 HydrophobicContact CD2-CD2 3.6Å; F502-Y514 AromaticContact CD2-CE2 3.34Å; F502-Y514 HydrophobicContact CD2-CE2 3.34Å; F502-Y514 AromaticContact CE2-CD2 3.82Å; F502-Y514 HydrophobicContact CE2-CD2 3.82Å; F502-Y514 AromaticContact CE2-CE2 3.1Å; F502-Y514 HydrophobicContact CE2-CE2 3.1Å; F502-Y514 AromaticContact CE2-CZ 3.8Å; F502-Y514 HydrophobicContact CG-CE2 4.45Å; F502-Y514 HydrophobicContact CZ-CE2 4.05Å |
| 503 | V | 90.7 | Very high | 89.9 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 170 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | Y499 A500 R505 L506 Y508 A511 | Y499-V503 HydrophobicContact CD1-CG2 4.25Å; Y499-V503 HydrophobicContact CD2-CG2 4.32Å; Y499-V503 HydrophobicContact CE1-CG2 3.88Å; Y499-V503 HydrophobicContact CE2-CG2 3.98Å; Y499-V503 HydrophobicContact CG-CG2 4.45Å; Y499-V503 VanDerWaalsContact O-CG2 3.3Å; Y499-V503 WeakPolarHBondContact O-CG2 3.36Å; Y499-V503 PolarHBondContact O-N 3.4Å; A500-V503 PolarHBondContact O-N 3.36Å; V503-R505 VanDerWaalsContact C-N 3.3Å; V503-R505 PolarHBondContact O-N 2.72Å; V503-L506 PolarHBondContact O-N 3.3Å; V503-Y508 HydrophobicContact CG1-CE1 4.26Å; V503-A511 HydrophobicContact CG2-CB 3.61Å |
| 504 | K | 88.4 | Confident | 90.3 | Very high | 109 Ų | 109 | 44.9 Ų | 44.9 | 47% | 0.474 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -34.3 | 179.5 | -167.2 | 175.4 | -175 | -179.5 | 0 | 112.8 | V465 D466 A500 L506 | V465-K504 HydrophobicContact CG1-CB 4.45Å; V465-K504 HydrophobicContact CG1-CD 4.3Å; D466-K504 WeakPolarHBondContact OD1-CD 3.32Å; D466-K504 IonicContact OD1-NZ 2.99Å; D466-K504 PolarHBondContact OD1-NZ 3.45Å; D466-K504 IonicContact OD2-NZ 2.84Å; D466-K504 PolarHBondContact OD2-NZ 3.07Å; D466-K504 VanDerWaalsContact OD2-NZ 3.07Å; A500-K504 WeakPolarHBondContact O-CB 3.36Å; A500-K504 PolarHBondContact O-N 2.97Å; K504-L506 VanDerWaalsContact C-N 3.26Å; K504-L506 PolarHBondContact O-N 2.85Å |
| 505 | R | 89 | Confident | 90.4 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 26% | 0.26 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 11.2 | 173.7 | -70.7 | 173.7 | 174.1 | 59.9 | 6.8 | 114 | F467 E473 Y501 V503 N507 | F467-R505 PolarHBondContact O-NH2 3.47Å; E473-R505 WeakPolarHBondContact OE1-CD 3.42Å; E473-R505 IonicContact OE1-CZ 3.54Å; E473-R505 IonicContact OE1-NE 2.59Å; E473-R505 PolarHBondContact OE1-NE 3.14Å; Y501-R505 VanDerWaalsContact CZ-NE 3.29Å; Y501-R505 VanDerWaalsContact CZ-NH2 3.28Å; Y501-R505 PolarHBondContact O-N 3.3Å; Y501-R505 PolarHBondContact OH-NE 2.98Å; Y501-R505 PolarHBondContact OH-NH2 3.05Å; V503-R505 VanDerWaalsContact C-N 3.3Å; V503-R505 PolarHBondContact O-N 2.72Å; R505-N507 PolarHBondContact O-N 2.89Å; R505-N507 VanDerWaalsContact O-N 3.16Å |
| 506 | L | 88.3 | Confident | 90.5 | Very high | 124 Ų | 124 | 44.9 Ų | 44.9 | 65% | 0.649 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 22.4 | 179.2 | -52 | 175.3 | 0 | 0 | 0 | 114.6 | F502 V503 K504 Y508 | F502-L506 PolarHBondContact O-N 3.02Å; V503-L506 PolarHBondContact O-N 3.3Å; K504-L506 VanDerWaalsContact C-N 3.26Å; K504-L506 PolarHBondContact O-N 2.85Å; L506-Y508 HydrophobicContact CB-CE2 4.39Å; L506-Y508 HydrophobicContact CD2-CE2 4.36Å; L506-Y508 WeakPolarHBondContact CD2-OH 3.45Å; L506-Y508 PolarHBondContact O-N 3.18Å |
| 507 | N | 90.2 | Very high | 90.4 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 32% | 0.316 | 20% | 0.196 | S | C | . | . | trans | -97.6 | 66.5 | 175.8 | -164.4 | -21.6 | 0 | 0 | 0 | 110.7 | F502 R505 R509 R510 A511 | F502-N507 HydrophobicContact CB-CB 4.38Å; F502-N507 HydrophobicContact CD1-CB 4.12Å; F502-N507 CarbonylContact O-C 3.54Å; F502-N507 WeakPolarHBondContact O-CA 2.98Å; F502-N507 PolarHBondContact O-N 3.35Å; R505-N507 PolarHBondContact O-N 2.89Å; R505-N507 VanDerWaalsContact O-N 3.16Å; N507-R509 PolarHBondContact O-N 3.21Å; N507-R509 VanDerWaalsContact O-N 3.16Å; N507-R510 HydrophobicContact CB-CB 4.48Å; N507-R510 PolarHBondContact O-N 2.8Å; N507-R510 VanDerWaalsContact O-N 3.14Å; N507-R510 PolarHBondContact OD1-N 3.29Å; N507-A511 PolarHBondContact O-N 3.37Å | ||
| 508 | Y | 90.3 | Very high | 90.3 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 30% | 0.302 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.9 | -27.6 | -176 | -57.4 | -71.9 | 0 | 0 | 0 | 113.7 | V503 L506 A511 A512 A547 S550 | V503-Y508 HydrophobicContact CG1-CE1 4.26Å; L506-Y508 HydrophobicContact CB-CE2 4.39Å; L506-Y508 HydrophobicContact CD2-CE2 4.36Å; L506-Y508 WeakPolarHBondContact CD2-OH 3.45Å; L506-Y508 PolarHBondContact O-N 3.18Å; Y508-A511 PolarHBondContact O-N 2.79Å; Y508-A512 VanDerWaalsContact O-CB 3.31Å; Y508-A512 WeakPolarHBondContact O-CB 3.22Å; Y508-A512 PolarHBondContact O-N 2.78Å; Y508-A547 WeakPolarHBondContact CB-O 3.45Å; Y508-S550 WeakPolarHBondContact CD1-OG 3.34Å; Y508-S550 VanDerWaalsContact CG-OG 3.29Å |
| 509 | R | 90 | Very high | 90.1 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 29% | 0.291 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.4 | -42.1 | 176.8 | -173.2 | 171.4 | 170.6 | -151.2 | -23.1 | 112.2 | N507 F513 E559 | N507-R509 PolarHBondContact O-N 3.21Å; N507-R509 VanDerWaalsContact O-N 3.16Å; R509-F513 PolarHBondContact O-N 3.24Å; R509-F513 VanDerWaalsContact O-N 3.09Å; R509-E559 IonicContact NH2-OE1 3.82Å; R509-E559 PolarHBondContact NH2-OE1 2.94Å |
| 510 | R | 89.8 | Confident | 89.6 | Confident | 129 Ų | 129 | 44.3 Ų | 44.3 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.9 | -38.7 | 171.9 | -80 | -164.9 | 169.9 | 179.1 | -4.1 | 111.7 | F502 N507 A512 F513 Y514 | F502-R510 HydrophobicContact CB-CB 4.15Å; F502-R510 HydrophobicContact CD1-CB 3.86Å; F502-R510 HydrophobicContact CD2-CB 4.11Å; F502-R510 HydrophobicContact CE1-CB 4.32Å; F502-R510 HydrophobicContact CG-CB 3.75Å; N507-R510 HydrophobicContact CB-CB 4.48Å; N507-R510 PolarHBondContact O-N 2.8Å; N507-R510 VanDerWaalsContact O-N 3.14Å; N507-R510 PolarHBondContact OD1-N 3.29Å; R510-A512 PolarHBondContact O-N 2.78Å; R510-F513 WeakPolarHBondContact O-CB 3.42Å; R510-F513 PolarHBondContact O-N 2.5Å; R510-F513 VanDerWaalsContact O-N 3.15Å; R510-Y514 HydrophobicContact CB-CE2 4.31Å; R510-Y514 WeakPolarHBondContact O-CD2 3.15Å; R510-Y514 PolarHBondContact O-N 2.76Å; R510-Y514 VanDerWaalsContact O-N 3.15Å |
| 511 | A | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.8 | -48.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y499 F502 V503 N507 Y508 F513 Y514 A515 A547 | Y499-A511 HydrophobicContact CD2-CB 3.8Å; Y499-A511 WeakPolarHBondContact CD2-O 3.15Å; Y499-A511 HydrophobicContact CE2-CB 4Å; F502-A511 HydrophobicContact CB-CB 3.99Å; V503-A511 HydrophobicContact CG2-CB 3.61Å; N507-A511 PolarHBondContact O-N 3.37Å; Y508-A511 PolarHBondContact O-N 2.79Å; A511-F513 VanDerWaalsContact C-N 3.25Å; A511-F513 PolarHBondContact O-N 2.98Å; A511-Y514 PolarHBondContact O-N 2.59Å; A511-A515 PolarHBondContact O-N 3.37Å; A511-A547 HydrophobicContact CB-CB 4.43Å |
| 512 | A | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.6 | -37.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y508 R510 Y516 A547 L548 V558 | Y508-A512 VanDerWaalsContact O-CB 3.31Å; Y508-A512 WeakPolarHBondContact O-CB 3.22Å; Y508-A512 PolarHBondContact O-N 2.78Å; R510-A512 PolarHBondContact O-N 2.78Å; A512-Y516 VanDerWaalsContact O-CB 3.22Å; A512-Y516 WeakPolarHBondContact O-CB 3.21Å; A512-Y516 PolarHBondContact O-N 3.29Å; A512-A547 HydrophobicContact CB-CB 3.78Å; A512-L548 HydrophobicContact CB-CD1 4.38Å; A512-L548 HydrophobicContact CB-CD2 3.55Å; A512-L548 HydrophobicContact CB-CG 3.58Å; A512-V558 HydrophobicContact CB-CG2 4.02Å |
| 513 | F | 91 | Very high | 87.6 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 22% | 0.224 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -52.3 | 175.6 | 173.4 | -92.3 | 0 | 0 | 0 | 112.2 | R509 R510 A511 Y516 E517 V558 E559 | R509-F513 PolarHBondContact O-N 3.24Å; R509-F513 VanDerWaalsContact O-N 3.09Å; R510-F513 WeakPolarHBondContact O-CB 3.42Å; R510-F513 PolarHBondContact O-N 2.5Å; R510-F513 VanDerWaalsContact O-N 3.15Å; A511-F513 VanDerWaalsContact C-N 3.25Å; A511-F513 PolarHBondContact O-N 2.98Å; F513-Y516 PolarHBondContact O-N 3.44Å; F513-E517 VanDerWaalsContact CE1-OE2 3.28Å; F513-E517 WeakPolarHBondContact CE1-OE2 3.11Å; F513-E517 WeakPolarHBondContact O-CB 3.49Å; F513-E517 PolarHBondContact O-N 3.27Å; F513-V558 HydrophobicContact CB-CG1 4.13Å; F513-V558 HydrophobicContact CD2-CG1 3.9Å; F513-V558 HydrophobicContact CG-CG1 4.48Å; F513-E559 VanDerWaalsContact CD2-O 3.28Å; F513-E559 WeakPolarHBondContact CD2-O 3.19Å; F513-E559 VanDerWaalsContact CE2-O 3.23Å; F513-E559 WeakPolarHBondContact CE2-O 3.49Å |
| 514 | Y | 91.4 | Very high | 86.6 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.9 | -35.8 | -178.2 | -63.2 | -69.6 | 0 | 0 | 0 | 113 | E481 Y495 L498 F502 R510 A511 Y516 E517 K518 | E481-Y514 HydrophobicContact CG-CE1 3.92Å; E481-Y514 PolarHBondContact OE1-OH 2.75Å; Y495-Y514 WeakPolarHBondContact CD1-O 3.48Å; L498-Y514 HydrophobicContact CB-CD1 4.28Å; L498-Y514 HydrophobicContact CB-CD2 4.08Å; L498-Y514 HydrophobicContact CB-CG 3.91Å; L498-Y514 HydrophobicContact CD1-CD1 3.84Å; L498-Y514 HydrophobicContact CD1-CE1 3.98Å; L498-Y514 HydrophobicContact CD1-CG 4.34Å; F502-Y514 AromaticContact CD2-CD2 3.6Å; F502-Y514 HydrophobicContact CD2-CD2 3.6Å; F502-Y514 AromaticContact CD2-CE2 3.34Å; F502-Y514 HydrophobicContact CD2-CE2 3.34Å; F502-Y514 AromaticContact CE2-CD2 3.82Å; F502-Y514 HydrophobicContact CE2-CD2 3.82Å; F502-Y514 AromaticContact CE2-CE2 3.1Å; F502-Y514 HydrophobicContact CE2-CE2 3.1Å; F502-Y514 AromaticContact CE2-CZ 3.8Å; F502-Y514 HydrophobicContact CG-CE2 4.45Å; F502-Y514 HydrophobicContact CZ-CE2 4.05Å; R510-Y514 HydrophobicContact CB-CE2 4.31Å; R510-Y514 WeakPolarHBondContact O-CD2 3.15Å; R510-Y514 PolarHBondContact O-N 2.76Å; R510-Y514 VanDerWaalsContact O-N 3.15Å; A511-Y514 PolarHBondContact O-N 2.59Å; Y514-Y516 VanDerWaalsContact C-N 3.27Å; Y514-Y516 PolarHBondContact O-N 2.77Å; Y514-E517 PolarHBondContact O-N 2.77Å; Y514-K518 WeakPolarHBondContact O-CB 3.46Å; Y514-K518 PolarHBondContact O-N 3.22Å |
| 515 | A | 90.7 | Very high | 85.6 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -33.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y499 A511 K518 A519 A543 T544 | Y499-A515 HydrophobicContact CD2-CB 3.64Å; Y499-A515 HydrophobicContact CE2-CB 4.02Å; Y499-A515 HydrophobicContact CG-CB 4.48Å; A511-A515 PolarHBondContact O-N 3.37Å; A515-K518 WeakPolarHBondContact O-CB 3.34Å; A515-A519 PolarHBondContact O-N 3.27Å; A515-A543 HydrophobicContact CB-CB 4.03Å; A515-T544 HydrophobicContact CB-CG2 3.46Å; A515-T544 VanDerWaalsContact CB-CG2 3.46Å |
| 516 | Y | 91.3 | Very high | 83.9 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -78.7 | -36.5 | 178.8 | -166.8 | -109.5 | 0 | 0 | 0 | 111.6 | A512 F513 Y514 K518 A519 R520 L541 T544 V558 V560 I578 I583 E586 | A512-Y516 VanDerWaalsContact O-CB 3.22Å; A512-Y516 WeakPolarHBondContact O-CB 3.21Å; A512-Y516 PolarHBondContact O-N 3.29Å; F513-Y516 PolarHBondContact O-N 3.44Å; Y514-Y516 VanDerWaalsContact C-N 3.27Å; Y514-Y516 PolarHBondContact O-N 2.77Å; Y516-K518 VanDerWaalsContact C-N 3.3Å; Y516-K518 PolarHBondContact O-N 2.8Å; Y516-A519 PolarHBondContact O-N 2.8Å; Y516-R520 HydrophobicContact CD1-CG 4.22Å; Y516-R520 HydrophobicContact CE1-CG 3.86Å; Y516-R520 WeakPolarHBondContact O-CG 3.41Å; Y516-R520 PolarHBondContact O-N 2.77Å; Y516-L541 HydrophobicContact CD2-CD2 4.21Å; Y516-L541 HydrophobicContact CE2-CD2 4.01Å; Y516-T544 VanDerWaalsContact CB-CG2 3.48Å; Y516-T544 HydrophobicContact CD2-CG2 4.07Å; Y516-T544 HydrophobicContact CG-CG2 4.28Å; Y516-V558 HydrophobicContact CD1-CG1 4.38Å; Y516-V560 HydrophobicContact CD1-CG2 3.7Å; Y516-V560 HydrophobicContact CE1-CG1 4.2Å; Y516-V560 HydrophobicContact CE1-CG2 3.61Å; Y516-I578 HydrophobicContact CE1-CD1 3.65Å; Y516-I578 VanDerWaalsContact OH-CD1 3.27Å; Y516-I578 WeakPolarHBondContact OH-CD1 3.45Å; Y516-I583 HydrophobicContact CD2-CD1 4.01Å; Y516-I583 HydrophobicContact CD2-CG1 4.3Å; Y516-I583 HydrophobicContact CD2-CG2 4.38Å; Y516-I583 HydrophobicContact CE2-CD1 4.09Å; Y516-I583 HydrophobicContact CE2-CG1 3.93Å; Y516-I583 HydrophobicContact CE2-CG2 4.34Å; Y516-E586 PolarHBondContact OH-OE2 2.98Å |
| 517 | E | 86.3 | Confident | 82.3 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 170.7 | -163.7 | 177.5 | -179.5 | 0 | 0 | 110.6 | R485 Y495 F513 Y514 R520 R521 | R485-E517 IonicContact CZ-OE1 3.75Å; R485-E517 IonicContact NE-OE1 2.74Å; R485-E517 PolarHBondContact NE-OE1 2.93Å; R485-E517 VanDerWaalsContact NE-OE1 3.08Å; R485-E517 IonicContact NH2-OE1 2.82Å; R485-E517 IonicContact NH2-OE2 3.12Å; Y495-E517 HydrophobicContact CE1-CB 4.04Å; Y495-E517 HydrophobicContact CE1-CG 3.94Å; F513-E517 VanDerWaalsContact CE1-OE2 3.28Å; F513-E517 WeakPolarHBondContact CE1-OE2 3.11Å; F513-E517 WeakPolarHBondContact O-CB 3.49Å; F513-E517 PolarHBondContact O-N 3.27Å; Y514-E517 PolarHBondContact O-N 2.77Å; E517-R520 PolarHBondContact O-N 3.28Å; E517-R521 WeakPolarHBondContact O-CB 3.47Å; E517-R521 PolarHBondContact O-N 3.38Å |
| 518 | K | 87.8 | Confident | 80.5 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 6% | 0.057 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -51.6 | 171.3 | -173.5 | -175.7 | -178.6 | 176.1 | 0 | 111.7 | S492 Y495 D496 Y514 A515 Y516 R520 R521 L522 A540 | S492-K518 WeakPolarHBondContact OG-CE 3.36Å; S492-K518 PolarHBondContact OG-NZ 3.5Å; Y495-K518 HydrophobicContact CD1-CB 4.23Å; Y495-K518 HydrophobicContact CD2-CB 4.16Å; Y495-K518 HydrophobicContact CD2-CG 4.23Å; Y495-K518 HydrophobicContact CG-CB 3.83Å; Y495-K518 HydrophobicContact CG-CG 4.23Å; D496-K518 IonicContact OD1-NZ 2.78Å; D496-K518 PolarHBondContact OD1-NZ 2.78Å; D496-K518 IonicContact OD2-NZ 3.72Å; D496-K518 PolarHBondContact OD2-NZ 3.46Å; Y514-K518 WeakPolarHBondContact O-CB 3.46Å; Y514-K518 PolarHBondContact O-N 3.22Å; A515-K518 WeakPolarHBondContact O-CB 3.34Å; Y516-K518 VanDerWaalsContact C-N 3.3Å; Y516-K518 PolarHBondContact O-N 2.8Å; K518-R520 VanDerWaalsContact C-N 3.34Å; K518-R520 PolarHBondContact O-N 3.37Å; K518-R521 PolarHBondContact O-N 3.4Å; K518-R521 VanDerWaalsContact O-N 3.15Å; K518-L522 HydrophobicContact CG-CD1 4.05Å; K518-L522 WeakPolarHBondContact O-CG 3.3Å; K518-L522 PolarHBondContact O-N 2.99Å; K518-A540 HydrophobicContact CB-CB 4.4Å; K518-A540 HydrophobicContact CD-CB 4.18Å; K518-A540 HydrophobicContact CG-CB 4.26Å |
| 519 | A | 87.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | A515 Y516 R521 L522 R523 Y537 A540 L541 | A515-A519 PolarHBondContact O-N 3.27Å; Y516-A519 PolarHBondContact O-N 2.8Å; A519-R521 VanDerWaalsContact C-N 3.35Å; A519-R521 PolarHBondContact O-N 2.84Å; A519-L522 PolarHBondContact O-N 2.96Å; A519-R523 WeakPolarHBondContact O-CB 3.22Å; A519-R523 PolarHBondContact O-N 3.15Å; A519-Y537 HydrophobicContact CB-CD2 4.13Å; A519-Y537 HydrophobicContact CB-CE2 4.18Å; A519-Y537 VanDerWaalsContact O-CD2 3.24Å; A519-Y537 WeakPolarHBondContact O-CD2 3.4Å; A519-Y537 WeakPolarHBondContact O-CE2 3.26Å; A519-A540 HydrophobicContact CB-CB 3.75Å; A519-L541 HydrophobicContact CB-CD2 3.88Å; A519-L541 HydrophobicContact CB-CG 4Å |
| 520 | R | 81.6 | Confident | 77.2 | Confident | 81 Ų | 81 | 66 Ų | 66 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 176.9 | -71.6 | -178.1 | 81.2 | -156.1 | 11.8 | 112.5 | Y516 E517 K518 R523 S524 Y561 | Y516-R520 HydrophobicContact CD1-CG 4.22Å; Y516-R520 HydrophobicContact CE1-CG 3.86Å; Y516-R520 WeakPolarHBondContact O-CG 3.41Å; Y516-R520 PolarHBondContact O-N 2.77Å; E517-R520 PolarHBondContact O-N 3.28Å; K518-R520 VanDerWaalsContact C-N 3.34Å; K518-R520 PolarHBondContact O-N 3.37Å; R520-R523 PolarHBondContact O-N 2.89Å; R520-S524 WeakPolarHBondContact O-CB 3.42Å; R520-S524 PolarHBondContact O-N 3.37Å; R520-Y561 PolarHBondContact NH1-O 2.67Å |
| 521 | R | 78.9 | Confident | 75.9 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 178 | -165.2 | 178.9 | -177.3 | 112.9 | -6.9 | 111.1 | R485 E517 K518 A519 R523 S524 Q525 | R485-R521 PolarHBondContact O-NH1 3.31Å; R485-R521 PolarHBondContact O-NH2 2.92Å; E517-R521 WeakPolarHBondContact O-CB 3.47Å; E517-R521 PolarHBondContact O-N 3.38Å; K518-R521 PolarHBondContact O-N 3.4Å; K518-R521 VanDerWaalsContact O-N 3.15Å; A519-R521 VanDerWaalsContact C-N 3.35Å; A519-R521 PolarHBondContact O-N 2.84Å; R521-R523 VanDerWaalsContact C-N 3.33Å; R521-R523 PolarHBondContact O-N 3.41Å; R521-S524 PolarHBondContact O-N 2.99Å; R521-S524 PolarHBondContact O-OG 3Å; R521-Q525 PolarHBondContact O-N 2.78Å |
| 522 | L | 78.8 | Confident | 74.9 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 174.3 | -68.5 | 169.1 | 0 | 0 | 0 | 111.5 | K518 A519 S524 Q525 L533 E536 Y537 | K518-L522 HydrophobicContact CG-CD1 4.05Å; K518-L522 WeakPolarHBondContact O-CG 3.3Å; K518-L522 PolarHBondContact O-N 2.99Å; A519-L522 PolarHBondContact O-N 2.96Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.26Å; L522-Q525 PolarHBondContact O-N 2.91Å; L522-L533 HydrophobicContact CD2-CD2 4.01Å; L522-E536 VanDerWaalsContact CD1-C 3.5Å; L522-E536 HydrophobicContact CD1-CB 3.67Å; L522-E536 HydrophobicContact CD2-CB 4.41Å; L522-Y537 HydrophobicContact CB-CD2 4.4Å |
| 523 | R | 74.5 | Confident | 74 | Confident | 140 Ų | 140 | 69.6 Ų | 69.6 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | 173.9 | -170.2 | 178 | 179.8 | 177.8 | -2.2 | 113.2 | A519 R520 R521 Q525 Y537 E586 | A519-R523 WeakPolarHBondContact O-CB 3.22Å; A519-R523 PolarHBondContact O-N 3.15Å; R520-R523 PolarHBondContact O-N 2.89Å; R521-R523 VanDerWaalsContact C-N 3.33Å; R521-R523 PolarHBondContact O-N 3.41Å; R523-Q525 VanDerWaalsContact C-N 3.31Å; R523-Y537 HydrophobicContact CB-CD2 4.26Å; R523-Y537 HydrophobicContact CB-CE2 3.78Å; R523-Y537 HydrophobicContact CG-CE2 4.33Å; R523-E586 IonicContact CZ-OE1 2.7Å; R523-E586 IonicContact NE-OE1 3.29Å; R523-E586 IonicContact NH1-OE1 3.84Å; R523-E586 PolarHBondContact NH1-OE1 3.43Å |
| 524 | S | 70.7 | Confident | 73.2 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -73.4 | -22.2 | 180 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | R520 R521 L522 R526 | R520-S524 WeakPolarHBondContact O-CB 3.42Å; R520-S524 PolarHBondContact O-N 3.37Å; R521-S524 PolarHBondContact O-N 2.99Å; R521-S524 PolarHBondContact O-OG 3Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.26Å; S524-R526 PolarHBondContact O-N 2.7Å; S524-R526 VanDerWaalsContact O-N 3.14Å |
| 525 | Q | 67.7 | Low | 72.7 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -74.2 | 104.4 | 172.7 | -68.7 | -179.1 | -5.7 | 0 | 0 | 108 | R521 L522 R523 E527 | R521-Q525 PolarHBondContact O-N 2.78Å; L522-Q525 PolarHBondContact O-N 2.91Å; R523-Q525 VanDerWaalsContact C-N 3.31Å; Q525-E527 PolarHBondContact O-N 2.96Å |
| 526 | R | 52.5 | Low | 72.3 | Confident | 235 Ų | 235 | 76.1 Ų | 76.1 | 89% | 0.887 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -60.1 | 2.6 | -177 | -75.5 | -177.6 | 173.1 | -178.5 | -3.2 | 115.1 | S524 L528 | S524-R526 PolarHBondContact O-N 2.7Å; S524-R526 VanDerWaalsContact O-N 3.14Å; R526-L528 VanDerWaalsContact C-N 3.33Å; R526-L528 PolarHBondContact O-N 2.64Å |
| 527 | E | 55.3 | Low | 72.1 | Confident | 126 Ų | 126 | 76.3 Ų | 76.3 | 59% | 0.589 | 35% | 0.349 | S | S | * | . | trans | -94.7 | 40.2 | 174.8 | -63.4 | -174.9 | -178 | 0 | 0 | 112.4 | Q525 F529 R530 L533 | Q525-E527 PolarHBondContact O-N 2.96Å; E527-F529 PolarHBondContact O-N 3.28Å; E527-R530 PolarHBondContact O-N 3.15Å; E527-L533 HydrophobicContact CB-CD1 4.44Å | ||
| 528 | L | 52.4 | Low | 72.1 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 31% | 0.314 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -5.6 | 172.5 | -96.5 | 123.4 | 0 | 0 | 0 | 114.2 | R526 | R526-L528 VanDerWaalsContact C-N 3.33Å; R526-L528 PolarHBondContact O-N 2.64Å |
| 529 | F | 52.7 | Low | 72.1 | Confident | 130 Ų | 130 | 77.9 Ų | 77.9 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12.8 | -177.1 | -58.2 | -72.7 | 0 | 0 | 0 | 114.8 | E527 R598 E604 | E527-F529 PolarHBondContact O-N 3.28Å; F529-R598 PolarHBondContact O-NH1 2.99Å; F529-E604 WeakPolarHBondContact CE1-OE1 3.48Å |
| 530 | R | 58.6 | Low | 72.2 | Confident | 160 Ų | 160 | 78.1 Ų | 78.1 | 60% | 0.604 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -80.4 | 124.2 | 170.4 | -76.8 | -172.4 | 171.4 | -179.3 | -0.3 | 110.2 | E527 D532 L533 Q534 | E527-R530 PolarHBondContact O-N 3.15Å; R530-D532 PolarHBondContact O-N 2.65Å; R530-D532 VanDerWaalsContact O-N 3.13Å; R530-L533 HydrophobicContact CB-CB 4.37Å; R530-L533 HydrophobicContact CB-CD1 4.15Å; R530-L533 HydrophobicContact CB-CG 4.25Å; R530-L533 PolarHBondContact O-N 3.15Å; R530-L533 VanDerWaalsContact O-N 3.09Å; R530-Q534 PolarHBondContact O-N 3.49Å |
| 531 | S | 62.3 | Low | 72.6 | Confident | 69 Ų | 69 | 74.2 Ų | 74.2 | 48% | 0.483 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -45.1 | -44.1 | 174.7 | 43.6 | 0 | 0 | 0 | 0 | 112.1 | L533 Q534 E535 | S531-L533 PolarHBondContact O-N 3.13Å; S531-Q534 PolarHBondContact O-N 2.81Å; S531-E535 PolarHBondContact O-N 2.81Å |
| 532 | D | 68.9 | Low | 73.1 | Confident | 100 Ų | 100 | 74.1 Ų | 74.1 | 54% | 0.535 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | -174.3 | -44.7 | -9.9 | 0 | 0 | 0 | 111.6 | R530 E535 E536 | R530-D532 PolarHBondContact O-N 2.65Å; R530-D532 VanDerWaalsContact O-N 3.13Å; D532-E535 PolarHBondContact O-N 3.34Å; D532-E536 PolarHBondContact O-N 2.69Å |
| 533 | L | 73.4 | Confident | 73.6 | Confident | 37 Ų | 37 | 74.2 Ų | 74.2 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.3 | -33.4 | 178.2 | -71.6 | 173.5 | 0 | 0 | 0 | 111.9 | L522 E527 R530 S531 E536 Y537 | L522-L533 HydrophobicContact CD2-CD2 4.01Å; E527-L533 HydrophobicContact CB-CD1 4.44Å; R530-L533 HydrophobicContact CB-CB 4.37Å; R530-L533 HydrophobicContact CB-CD1 4.15Å; R530-L533 HydrophobicContact CB-CG 4.25Å; R530-L533 PolarHBondContact O-N 3.15Å; R530-L533 VanDerWaalsContact O-N 3.09Å; S531-L533 PolarHBondContact O-N 3.13Å; L533-E536 PolarHBondContact O-N 3.16Å; L533-Y537 WeakPolarHBondContact O-CB 3.47Å; L533-Y537 PolarHBondContact O-N 2.95Å |
| 534 | Q | 75 | Confident | 74.4 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.2 | -37 | 176.7 | -164.5 | 169.2 | -3 | 0 | 0 | 111.3 | R530 S531 Y537 V538 | R530-Q534 PolarHBondContact O-N 3.49Å; S531-Q534 PolarHBondContact O-N 2.81Å; Q534-Y537 PolarHBondContact O-N 3.45Å; Q534-V538 WeakPolarHBondContact O-CB 3.24Å; Q534-V538 WeakPolarHBondContact O-CG2 3.4Å; Q534-V538 PolarHBondContact O-N 3.43Å |
| 535 | E | 80.5 | Confident | 75.3 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 169.9 | -80 | 176.7 | -165 | 0 | 0 | 112.3 | S531 D532 Y537 V538 S539 | S531-E535 PolarHBondContact O-N 2.81Å; D532-E535 PolarHBondContact O-N 3.34Å; E535-Y537 VanDerWaalsContact C-N 3.31Å; E535-Y537 PolarHBondContact O-N 2.81Å; E535-V538 PolarHBondContact O-N 2.88Å; E535-S539 VanDerWaalsContact O-CB 3.29Å; E535-S539 WeakPolarHBondContact O-CB 3.44Å; E535-S539 PolarHBondContact O-N 3.36Å; E535-S539 PolarHBondContact O-OG 3.46Å |
| 536 | E | 82.3 | Confident | 76.3 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 174.4 | -76.8 | -166.3 | -151.5 | 0 | 0 | 112.2 | S492 L522 D532 L533 S539 A540 | S492-E536 PolarHBondContact OG-OE2 3.45Å; L522-E536 VanDerWaalsContact CD1-C 3.5Å; L522-E536 HydrophobicContact CD1-CB 3.67Å; L522-E536 HydrophobicContact CD2-CB 4.41Å; D532-E536 PolarHBondContact O-N 2.69Å; L533-E536 PolarHBondContact O-N 3.16Å; E536-S539 VanDerWaalsContact CA-OG 3.31Å; E536-S539 WeakPolarHBondContact CA-OG 3.39Å; E536-S539 PolarHBondContact O-OG 2.71Å; E536-A540 VanDerWaalsContact O-CB 3.26Å; E536-A540 WeakPolarHBondContact O-CB 3.45Å; E536-A540 PolarHBondContact O-N 2.72Å |
| 537 | Y | 86.5 | Confident | 78.2 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.5 | -47 | 177.5 | 172 | -116.6 | 0 | 0 | 0 | 112.2 | A519 L522 R523 L533 Q534 E535 S539 A540 L541 E586 A590 | A519-Y537 HydrophobicContact CB-CD2 4.13Å; A519-Y537 HydrophobicContact CB-CE2 4.18Å; A519-Y537 VanDerWaalsContact O-CD2 3.24Å; A519-Y537 WeakPolarHBondContact O-CD2 3.4Å; A519-Y537 WeakPolarHBondContact O-CE2 3.26Å; L522-Y537 HydrophobicContact CB-CD2 4.4Å; R523-Y537 HydrophobicContact CB-CD2 4.26Å; R523-Y537 HydrophobicContact CB-CE2 3.78Å; R523-Y537 HydrophobicContact CG-CE2 4.33Å; L533-Y537 WeakPolarHBondContact O-CB 3.47Å; L533-Y537 PolarHBondContact O-N 2.95Å; Q534-Y537 PolarHBondContact O-N 3.45Å; E535-Y537 VanDerWaalsContact C-N 3.31Å; E535-Y537 PolarHBondContact O-N 2.81Å; Y537-S539 VanDerWaalsContact C-N 3.35Å; Y537-S539 PolarHBondContact O-N 2.84Å; Y537-A540 PolarHBondContact O-N 2.93Å; Y537-L541 HydrophobicContact CD1-CD1 4.38Å; Y537-L541 HydrophobicContact CD2-CD1 4.38Å; Y537-L541 HydrophobicContact CD2-CG 4.48Å; Y537-L541 HydrophobicContact CE1-CD1 3.8Å; Y537-L541 HydrophobicContact CE2-CD1 3.77Å; Y537-L541 HydrophobicContact CE2-CG 4.08Å; Y537-L541 VanDerWaalsContact CZ-CD1 3.47Å; Y537-L541 PolarHBondContact O-N 3.12Å; Y537-E586 WeakPolarHBondContact OH-CG 3.43Å; Y537-E586 PolarHBondContact OH-OE1 3.32Å; Y537-A590 HydrophobicContact CD1-CB 4.08Å; Y537-A590 HydrophobicContact CE1-CB 3.66Å |
| 538 | V | 86.8 | Confident | 79.8 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177.2 | 169.3 | 0 | 0 | 0 | 0 | 111 | Q534 E535 L541 A542 L587 A590 T591 | Q534-V538 WeakPolarHBondContact O-CB 3.24Å; Q534-V538 WeakPolarHBondContact O-CG2 3.4Å; Q534-V538 PolarHBondContact O-N 3.43Å; E535-V538 PolarHBondContact O-N 2.88Å; V538-L541 PolarHBondContact O-N 3.13Å; V538-A542 WeakPolarHBondContact O-CB 3.35Å; V538-A542 PolarHBondContact O-N 3.12Å; V538-L587 HydrophobicContact CG1-CD1 4.1Å; V538-L587 WeakPolarHBondContact O-CD1 3.3Å; V538-A590 HydrophobicContact CG2-CB 3.74Å; V538-T591 HydrophobicContact CG1-CG2 3.51Å |
| 539 | S | 87 | Confident | 81.5 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 177 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | E535 E536 Y537 A542 A543 | E535-S539 VanDerWaalsContact O-CB 3.29Å; E535-S539 WeakPolarHBondContact O-CB 3.44Å; E535-S539 PolarHBondContact O-N 3.36Å; E535-S539 PolarHBondContact O-OG 3.46Å; E536-S539 VanDerWaalsContact CA-OG 3.31Å; E536-S539 WeakPolarHBondContact CA-OG 3.39Å; E536-S539 PolarHBondContact O-OG 2.71Å; Y537-S539 VanDerWaalsContact C-N 3.35Å; Y537-S539 PolarHBondContact O-N 2.84Å; S539-A542 PolarHBondContact O-N 3.34Å; S539-A543 WeakPolarHBondContact O-CB 3.42Å; S539-A543 PolarHBondContact O-N 2.64Å |
| 540 | A | 88.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K518 A519 E536 Y537 A542 A543 T544 | K518-A540 HydrophobicContact CB-CB 4.4Å; K518-A540 HydrophobicContact CD-CB 4.18Å; K518-A540 HydrophobicContact CG-CB 4.26Å; A519-A540 HydrophobicContact CB-CB 3.75Å; E536-A540 VanDerWaalsContact O-CB 3.26Å; E536-A540 WeakPolarHBondContact O-CB 3.45Å; E536-A540 PolarHBondContact O-N 2.72Å; Y537-A540 PolarHBondContact O-N 2.93Å; A540-A542 PolarHBondContact O-N 2.72Å; A540-A543 PolarHBondContact O-N 3.2Å; A540-T544 VanDerWaalsContact O-CG2 3.27Å; A540-T544 WeakPolarHBondContact O-CG2 3.28Å; A540-T544 PolarHBondContact O-N 2.83Å |
| 541 | L | 90.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 173.8 | -73.1 | 175.6 | 0 | 0 | 0 | 112.3 | Y516 A519 Y537 V538 A543 T544 T545 I583 E586 L587 A590 | Y516-L541 HydrophobicContact CD2-CD2 4.21Å; Y516-L541 HydrophobicContact CE2-CD2 4.01Å; A519-L541 HydrophobicContact CB-CD2 3.88Å; A519-L541 HydrophobicContact CB-CG 4Å; Y537-L541 HydrophobicContact CD1-CD1 4.38Å; Y537-L541 HydrophobicContact CD2-CD1 4.38Å; Y537-L541 HydrophobicContact CD2-CG 4.48Å; Y537-L541 HydrophobicContact CE1-CD1 3.8Å; Y537-L541 HydrophobicContact CE2-CD1 3.77Å; Y537-L541 HydrophobicContact CE2-CG 4.08Å; Y537-L541 VanDerWaalsContact CZ-CD1 3.47Å; Y537-L541 PolarHBondContact O-N 3.12Å; V538-L541 PolarHBondContact O-N 3.13Å; L541-A543 PolarHBondContact O-N 3.3Å; L541-T544 WeakPolarHBondContact CA-OG1 3.46Å; L541-T544 PolarHBondContact O-N 2.99Å; L541-T544 PolarHBondContact O-OG1 3.43Å; L541-T545 WeakPolarHBondContact O-CG2 3.26Å; L541-T545 PolarHBondContact O-N 3.2Å; L541-T545 PolarHBondContact O-OG1 2.9Å; L541-I583 HydrophobicContact CD2-CG2 4.06Å; L541-E586 HydrophobicContact CD1-CB 4.31Å; L541-E586 HydrophobicContact CD1-CG 3.85Å; L541-E586 HydrophobicContact CD2-CG 4.34Å; L541-L587 HydrophobicContact CB-CB 4.18Å; L541-L587 HydrophobicContact CB-CD1 3.8Å; L541-A590 HydrophobicContact CD1-CB 4.19Å |
| 542 | A | 89.5 | Confident | 85.3 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V538 S539 A540 T544 T545 A546 L587 | V538-A542 WeakPolarHBondContact O-CB 3.35Å; V538-A542 PolarHBondContact O-N 3.12Å; S539-A542 PolarHBondContact O-N 3.34Å; A540-A542 PolarHBondContact O-N 2.72Å; A542-T544 VanDerWaalsContact C-N 3.32Å; A542-T544 PolarHBondContact O-N 2.62Å; A542-T545 PolarHBondContact O-N 3.29Å; A542-T545 PolarHBondContact O-OG1 3.38Å; A542-A546 WeakPolarHBondContact O-CB 3.38Å; A542-A546 PolarHBondContact O-N 2.9Å; A542-L587 HydrophobicContact CB-CD1 4.11Å; A542-L587 HydrophobicContact CB-CD2 4.39Å |
| 543 | A | 90.4 | Very high | 85.7 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y499 A515 S539 A540 L541 A546 A547 | Y499-A543 HydrophobicContact CE1-CB 4.41Å; Y499-A543 HydrophobicContact CE2-CB 3.91Å; A515-A543 HydrophobicContact CB-CB 4.03Å; S539-A543 WeakPolarHBondContact O-CB 3.42Å; S539-A543 PolarHBondContact O-N 2.64Å; A540-A543 PolarHBondContact O-N 3.2Å; L541-A543 PolarHBondContact O-N 3.3Å; A543-A546 PolarHBondContact O-N 3.43Å; A543-A547 VanDerWaalsContact O-CB 3.26Å; A543-A547 WeakPolarHBondContact O-CB 3.5Å; A543-A547 PolarHBondContact O-N 2.89Å |
| 544 | T | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 175.8 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | A515 Y516 A540 L541 A542 A546 A547 L548 I583 | A515-T544 HydrophobicContact CB-CG2 3.46Å; A515-T544 VanDerWaalsContact CB-CG2 3.46Å; Y516-T544 VanDerWaalsContact CB-CG2 3.48Å; Y516-T544 HydrophobicContact CD2-CG2 4.07Å; Y516-T544 HydrophobicContact CG-CG2 4.28Å; A540-T544 VanDerWaalsContact O-CG2 3.27Å; A540-T544 WeakPolarHBondContact O-CG2 3.28Å; A540-T544 PolarHBondContact O-N 2.83Å; L541-T544 WeakPolarHBondContact CA-OG1 3.46Å; L541-T544 PolarHBondContact O-N 2.99Å; L541-T544 PolarHBondContact O-OG1 3.43Å; A542-T544 VanDerWaalsContact C-N 3.32Å; A542-T544 PolarHBondContact O-N 2.62Å; T544-A546 VanDerWaalsContact C-N 3.35Å; T544-A547 PolarHBondContact O-N 3.49Å; T544-L548 WeakPolarHBondContact O-CB 3.44Å; T544-L548 VanDerWaalsContact O-CG 3.28Å; T544-L548 WeakPolarHBondContact O-CG 3.38Å; T544-L548 PolarHBondContact O-N 2.93Å; T544-I583 WeakPolarHBondContact OG1-CG2 3.35Å |
| 545 | T | 89.2 | Confident | 86.5 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 178.3 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | L541 A542 S549 I583 Q584 L587 | L541-T545 WeakPolarHBondContact O-CG2 3.26Å; L541-T545 PolarHBondContact O-N 3.2Å; L541-T545 PolarHBondContact O-OG1 2.9Å; A542-T545 PolarHBondContact O-N 3.29Å; A542-T545 PolarHBondContact O-OG1 3.38Å; T545-S549 VanDerWaalsContact O-CB 3.24Å; T545-S549 WeakPolarHBondContact O-CB 3.43Å; T545-S549 PolarHBondContact O-N 3.31Å; T545-S549 PolarHBondContact O-OG 3Å; T545-I583 HydrophobicContact CG2-CB 4.18Å; T545-I583 HydrophobicContact CG2-CG2 3.56Å; T545-Q584 HydrophobicContact CG2-CG 3.83Å; T545-L587 HydrophobicContact CG2-CD2 4.06Å |
| 546 | A | 89.2 | Confident | 86.7 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A542 A543 T544 L548 S549 S550 | A542-A546 WeakPolarHBondContact O-CB 3.38Å; A542-A546 PolarHBondContact O-N 2.9Å; A543-A546 PolarHBondContact O-N 3.43Å; T544-A546 VanDerWaalsContact C-N 3.35Å; A546-L548 VanDerWaalsContact C-N 3.33Å; A546-L548 PolarHBondContact O-N 2.89Å; A546-S549 WeakPolarHBondContact CA-OG 3.48Å; A546-S549 PolarHBondContact O-N 3.3Å; A546-S549 PolarHBondContact O-OG 3.4Å; A546-S550 PolarHBondContact O-N 3.26Å; A546-S550 PolarHBondContact O-OG 3.48Å |
| 547 | A | 90.7 | Very high | 86.9 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y499 Y508 A511 A512 A543 T544 S550 | Y499-A547 HydrophobicContact CE2-CB 4.11Å; Y508-A547 WeakPolarHBondContact CB-O 3.45Å; A511-A547 HydrophobicContact CB-CB 4.43Å; A512-A547 HydrophobicContact CB-CB 3.78Å; A543-A547 VanDerWaalsContact O-CB 3.26Å; A543-A547 WeakPolarHBondContact O-CB 3.5Å; A543-A547 PolarHBondContact O-N 2.89Å; T544-A547 PolarHBondContact O-N 3.49Å; A547-S550 PolarHBondContact O-OG 2.86Å |
| 548 | L | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -78.7 | -29.6 | 176.2 | -65.8 | 168.9 | 0 | 0 | 0 | 114.1 | A512 T544 A546 S550 V551 S556 V558 V580 I583 | A512-L548 HydrophobicContact CB-CD1 4.38Å; A512-L548 HydrophobicContact CB-CD2 3.55Å; A512-L548 HydrophobicContact CB-CG 3.58Å; T544-L548 WeakPolarHBondContact O-CB 3.44Å; T544-L548 VanDerWaalsContact O-CG 3.28Å; T544-L548 WeakPolarHBondContact O-CG 3.38Å; T544-L548 PolarHBondContact O-N 2.93Å; A546-L548 VanDerWaalsContact C-N 3.33Å; A546-L548 PolarHBondContact O-N 2.89Å; L548-S550 VanDerWaalsContact C-N 3.31Å; L548-V551 WeakPolarHBondContact O-CB 3.49Å; L548-V551 PolarHBondContact O-N 3.28Å; L548-S556 WeakPolarHBondContact O-CB 3.44Å; L548-V558 HydrophobicContact CD1-CG2 3.68Å; L548-V558 HydrophobicContact CD2-CG2 3.75Å; L548-V558 HydrophobicContact CG-CG2 4.15Å; L548-V580 HydrophobicContact CB-CG1 4.45Å; L548-V580 HydrophobicContact CB-CG2 3.47Å; L548-V580 VanDerWaalsContact CB-CG2 3.47Å; L548-V580 HydrophobicContact CD1-CG2 4.01Å; L548-V580 HydrophobicContact CG-CG2 4.3Å; L548-I583 HydrophobicContact CD1-CD1 3.5Å |
| 549 | S | 87.5 | Confident | 86.8 | Confident | 80 Ų | 80 | 51 Ų | 51 | 56% | 0.559 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -72.2 | -24.6 | 177.7 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | T545 A546 V551 | T545-S549 VanDerWaalsContact O-CB 3.24Å; T545-S549 WeakPolarHBondContact O-CB 3.43Å; T545-S549 PolarHBondContact O-N 3.31Å; T545-S549 PolarHBondContact O-OG 3Å; A546-S549 WeakPolarHBondContact CA-OG 3.48Å; A546-S549 PolarHBondContact O-N 3.3Å; A546-S549 PolarHBondContact O-OG 3.4Å; S549-V551 VanDerWaalsContact C-N 3.25Å |
| 550 | S | 85.7 | Confident | 86.4 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.6 | 170.6 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | Y508 A546 A547 L548 | Y508-S550 WeakPolarHBondContact CD1-OG 3.34Å; Y508-S550 VanDerWaalsContact CG-OG 3.29Å; A546-S550 PolarHBondContact O-N 3.26Å; A546-S550 PolarHBondContact O-OG 3.48Å; A547-S550 PolarHBondContact O-OG 2.86Å; L548-S550 VanDerWaalsContact C-N 3.31Å |
| 551 | V | 85.5 | Confident | 85.9 | Confident | 29 Ų | 29 | 51.5 Ų | 51.5 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -90.3 | 138.5 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | L548 S549 E553 Y555 | L548-V551 WeakPolarHBondContact O-CB 3.49Å; L548-V551 PolarHBondContact O-N 3.28Å; S549-V551 VanDerWaalsContact C-N 3.25Å; V551-E553 PolarHBondContact O-N 2.99Å; V551-Y555 VanDerWaalsContact CG1-CB 3.47Å |
| 552 | K | 82.6 | Confident | 84.9 | Confident | 162 Ų | 162 | 55.6 Ų | 55.6 | 70% | 0.704 | 30% | 0.296 | S | S | * | . | trans | -49.3 | 136.8 | 173.3 | -170.8 | 178.9 | -175.8 | 178.4 | 0 | 110.5 | S554 Y555 S556 | K552-S554 PolarHBondContact O-N 2.92Å; K552-Y555 HydrophobicContact CB-CD2 4.48Å; K552-Y555 PolarHBondContact O-N 3.47Å; K552-S556 PolarHBondContact O-N 3.4Å | ||
| 553 | E | 77.7 | Confident | 83.6 | Confident | 178 Ų | 178 | 58.3 Ų | 58.3 | 83% | 0.832 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -48.3 | -30.2 | -174.2 | -68.2 | -176.5 | 159.9 | 0 | 0 | 114.9 | V551 Y555 S556 | V551-E553 PolarHBondContact O-N 2.99Å; E553-Y555 PolarHBondContact O-N 3.29Å; E553-S556 WeakPolarHBondContact CA-OG 3.36Å; E553-S556 PolarHBondContact O-N 3.23Å; E553-S556 PolarHBondContact O-OG 2.88Å |
| 554 | S | 81.3 | Confident | 82.3 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 49% | 0.49 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -65.4 | -21.5 | 176.4 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | K552 W557 | K552-S554 PolarHBondContact O-N 2.92Å; S554-W557 PolarHBondContact O-NE1 3.25Å |
| 555 | Y | 82.8 | Confident | 80.6 | Confident | 134 Ų | 134 | 66.8 Ų | 66.8 | 53% | 0.525 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -119.6 | 9.1 | -177.8 | -57.1 | -75.6 | 0 | 0 | 0 | 112.7 | V551 K552 E553 W557 | V551-Y555 VanDerWaalsContact CG1-CB 3.47Å; K552-Y555 HydrophobicContact CB-CD2 4.48Å; K552-Y555 PolarHBondContact O-N 3.47Å; E553-Y555 PolarHBondContact O-N 3.29Å; Y555-W557 VanDerWaalsContact C-CD1 3.47Å; Y555-W557 VanDerWaalsContact C-N 3.27Å; Y555-W557 PolarHBondContact O-N 3.21Å |
| 556 | S | 86 | Confident | 78.9 | Confident | 21 Ų | 21 | 73.7 Ų | 73.7 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | trans | -84 | 67.7 | -176.3 | 72.4 | 0 | 0 | 0 | 0 | 111 | L548 K552 E553 V580 | L548-S556 WeakPolarHBondContact O-CB 3.44Å; K552-S556 PolarHBondContact O-N 3.4Å; E553-S556 WeakPolarHBondContact CA-OG 3.36Å; E553-S556 PolarHBondContact O-N 3.23Å; E553-S556 PolarHBondContact O-OG 2.88Å; S556-V580 WeakPolarHBondContact O-CG2 3.44Å | ||
| 557 | W | 86.4 | Confident | 77.1 | Confident | 69 Ų | 69 | 76.9 Ų | 76.9 | 26% | 0.261 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 153 | 179.9 | 50.1 | -93 | 0 | 0 | 0 | 111.4 | S554 Y555 E559 V577 I578 | S554-W557 PolarHBondContact O-NE1 3.25Å; Y555-W557 VanDerWaalsContact C-CD1 3.47Å; Y555-W557 VanDerWaalsContact C-N 3.27Å; Y555-W557 PolarHBondContact O-N 3.21Å; W557-E559 HydrophobicContact CE3-CG 4.05Å; W557-E559 HydrophobicContact CH2-CG 4.48Å; W557-E559 WeakPolarHBondContact CH2-OE1 3.27Å; W557-E559 HydrophobicContact CZ3-CG 3.45Å; W557-E559 VanDerWaalsContact CZ3-CG 3.45Å; W557-E559 VanDerWaalsContact CZ3-OE1 3.24Å; W557-E559 WeakPolarHBondContact CZ3-OE1 3.07Å; W557-V577 HydrophobicContact CB-CG1 3.72Å; W557-V577 HydrophobicContact CD2-CG1 3.97Å; W557-V577 HydrophobicContact CE3-CG1 3.71Å; W557-V577 HydrophobicContact CE3-CG2 4.49Å; W557-V577 HydrophobicContact CG-CG1 3.98Å; W557-V577 HydrophobicContact CZ3-CG1 4.47Å; W557-I578 WeakPolarHBondContact CA-O 3.41Å |
| 558 | V | 87.1 | Confident | 75.4 | Confident | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.012 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.3 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | A512 F513 Y516 L548 V560 I578 I583 | A512-V558 HydrophobicContact CB-CG2 4.02Å; F513-V558 HydrophobicContact CB-CG1 4.13Å; F513-V558 HydrophobicContact CD2-CG1 3.9Å; F513-V558 HydrophobicContact CG-CG1 4.48Å; Y516-V558 HydrophobicContact CD1-CG1 4.38Å; L548-V558 HydrophobicContact CD1-CG2 3.68Å; L548-V558 HydrophobicContact CD2-CG2 3.75Å; L548-V558 HydrophobicContact CG-CG2 4.15Å; V558-V560 HydrophobicContact CB-CG2 4.26Å; V558-V560 HydrophobicContact CG1-CG2 3.91Å; V558-I578 PolarHBondContact N-O 3.49Å; V558-I578 VanDerWaalsContact N-O 3.12Å; V558-I578 PolarHBondContact O-N 2.8Å; V558-I578 VanDerWaalsContact O-N 3.12Å; V558-I583 HydrophobicContact CG2-CD1 4.41Å |
| 559 | E | 83.4 | Confident | 73.9 | Confident | 66 Ų | 66 | 86.1 Ų | 86.1 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.3 | 171.1 | -70.3 | 178.7 | -163.1 | 0 | 0 | 109 | R509 F513 W557 L575 | R509-E559 IonicContact NH2-OE1 3.82Å; R509-E559 PolarHBondContact NH2-OE1 2.94Å; F513-E559 VanDerWaalsContact CD2-O 3.28Å; F513-E559 WeakPolarHBondContact CD2-O 3.19Å; F513-E559 VanDerWaalsContact CE2-O 3.23Å; F513-E559 WeakPolarHBondContact CE2-O 3.49Å; W557-E559 HydrophobicContact CE3-CG 4.05Å; W557-E559 HydrophobicContact CH2-CG 4.48Å; W557-E559 WeakPolarHBondContact CH2-OE1 3.27Å; W557-E559 HydrophobicContact CZ3-CG 3.45Å; W557-E559 VanDerWaalsContact CZ3-CG 3.45Å; W557-E559 VanDerWaalsContact CZ3-OE1 3.24Å; W557-E559 WeakPolarHBondContact CZ3-OE1 3.07Å; E559-L575 HydrophobicContact CB-CD1 3.7Å; E559-L575 HydrophobicContact CG-CD1 4Å |
| 560 | V | 79.8 | Confident | 72.8 | Confident | 7 Ų | 7 | 85.4 Ų | 85.4 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 117.2 | -172.1 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | Y516 V558 K576 I578 | Y516-V560 HydrophobicContact CD1-CG2 3.7Å; Y516-V560 HydrophobicContact CE1-CG1 4.2Å; Y516-V560 HydrophobicContact CE1-CG2 3.61Å; V558-V560 HydrophobicContact CB-CG2 4.26Å; V558-V560 HydrophobicContact CG1-CG2 3.91Å; V560-K576 WeakPolarHBondContact CB-O 3.33Å; V560-K576 PolarHBondContact N-O 3.28Å; V560-K576 PolarHBondContact O-N 3.12Å; V560-I578 HydrophobicContact CB-CD1 4.19Å; V560-I578 HydrophobicContact CB-CG1 4.4Å; V560-I578 HydrophobicContact CG1-CD1 4.29Å; V560-I578 HydrophobicContact CG2-CB 4.5Å; V560-I578 HydrophobicContact CG2-CD1 3.82Å; V560-I578 HydrophobicContact CG2-CG1 3.98Å |
| 561 | Y | 77 | Confident | 72.1 | Confident | 70 Ų | 70 | 84.3 Ų | 84.3 | 28% | 0.275 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -96 | 145.2 | 172.4 | -59.9 | -92 | 0 | 0 | 0 | 109.6 | R520 I570 L575 | R520-Y561 PolarHBondContact NH1-O 2.67Å; Y561-I570 HydrophobicContact CD1-CG2 3.86Å; Y561-I570 HydrophobicContact CD2-CG2 3.99Å; Y561-I570 HydrophobicContact CG-CG2 3.42Å; Y561-I570 VanDerWaalsContact CG-CG2 3.42Å; Y561-L575 HydrophobicContact CD1-CB 4.3Å; Y561-L575 HydrophobicContact CD1-CD1 4.39Å; Y561-L575 HydrophobicContact CE1-CB 4.04Å; Y561-L575 HydrophobicContact CE1-CD1 3.9Å; Y561-L575 HydrophobicContact CE2-CD1 4.02Å |
| 562 | E | 68.7 | Low | 71.4 | Confident | 85 Ų | 85 | 90.6 Ų | 90.6 | 40% | 0.397 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 134 | 168.1 | -62.2 | -175.7 | 167.9 | 0 | 0 | 110.2 | D571 S574 K576 | E562-D571 PolarHBondContact O-N 2.69Å; E562-S574 WeakPolarHBondContact CA-OG 3.36Å; E562-S574 WeakPolarHBondContact CB-OG 3.46Å; E562-S574 PolarHBondContact N-OG 3.19Å; E562-K576 IonicContact OE1-NZ 2.87Å; E562-K576 PolarHBondContact OE1-NZ 2.9Å |
| 563 | L | 62.9 | Low | 71.1 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | B | Isolated β-bridge | trans | -79.7 | 127.5 | 172.7 | -70 | 164.9 | 0 | 0 | 0 | 107.7 | A565 | L563-A565 PolarHBondContact O-N 3.29Å; L563-A565 VanDerWaalsContact O-N 3.15Å |
| 564 | K | 62.5 | Low | 71 | Confident | 97 Ų | 97 | 82.4 Ų | 82.4 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 118.3 | 170.3 | -70.7 | -175.3 | 178.4 | 166.3 | 0 | 107.5 | N566 E567 T569 D571 | K564-N566 PolarHBondContact O-N 3.33Å; K564-E567 CarbonylContact O-C 3.57Å; K564-E567 PolarHBondContact O-N 3.05Å; K564-E567 VanDerWaalsContact O-N 3.07Å; K564-T569 PolarHBondContact N-O 3.07Å; K564-D571 HydrophobicContact CD-CB 4.43Å; K564-D571 VanDerWaalsContact CE-CG 3.43Å; K564-D571 WeakPolarHBondContact CE-OD1 3.46Å; K564-D571 HydrophobicContact CG-CB 3.98Å; K564-D571 IonicContact NZ-OD1 3.68Å; K564-D571 PolarHBondContact NZ-OD1 2.76Å |
| 565 | A | 55.8 | Low | 70.9 | Confident | 104 Ų | 104 | 83 Ų | 83 | 86% | 0.86 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -18 | -171 | 0 | 0 | 0 | 0 | 0 | 115.6 | L563 | L563-A565 PolarHBondContact O-N 3.29Å; L563-A565 VanDerWaalsContact O-N 3.15Å |
| 566 | N | 53.4 | Low | 70.7 | Confident | 161 Ų | 161 | 82.1 Ų | 82.1 | 86% | 0.861 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -13.3 | -176.9 | -69.7 | -10.6 | 0 | 0 | 0 | 114.9 | K564 | K564-N566 PolarHBondContact O-N 3.33Š|
| 567 | E | 51.8 | Low | 70.6 | Confident | 117 Ų | 117 | 85.2 Ų | 85.2 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -133.1 | 123.1 | -176.2 | -68.2 | 178.4 | 173.8 | 0 | 0 | 105.5 | K564 T569 | K564-E567 CarbonylContact O-C 3.57Å; K564-E567 PolarHBondContact O-N 3.05Å; K564-E567 VanDerWaalsContact O-N 3.07Å; E567-T569 HydrophobicContact CB-CG2 4.06Å; E567-T569 WeakPolarHBondContact CB-OG1 3.14Å; E567-T569 PolarHBondContact O-N 3.07Å; E567-T569 PolarHBondContact O-OG1 3.24Å |
| 568 | N | 55.1 | Low | 70.5 | Confident | 133 Ų | 133 | 83.2 Ų | 83.2 | 71% | 0.711 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -59.8 | 18.7 | 172.8 | -72.7 | -22.5 | 0 | 0 | 0 | 113.3 | ||
| 569 | T | 59.4 | Low | 70.5 | Confident | 63 Ų | 63 | 85.3 Ų | 85.3 | 39% | 0.387 | 45% | 0.45 | S | S | . | . | trans | -81.5 | 135.8 | 169 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | K564 E567 | K564-T569 PolarHBondContact N-O 3.07Å; E567-T569 HydrophobicContact CB-CG2 4.06Å; E567-T569 WeakPolarHBondContact CB-OG1 3.14Å; E567-T569 PolarHBondContact O-N 3.07Å; E567-T569 PolarHBondContact O-OG1 3.24Å | ||
| 570 | I | 63.9 | Low | 70.6 | Confident | 65 Ų | 65 | 82.9 Ų | 82.9 | 33% | 0.333 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -73.8 | 129.4 | 173.3 | -61.8 | 172.4 | 0 | 0 | 0 | 108.3 | Y561 E572 | Y561-I570 HydrophobicContact CD1-CG2 3.86Å; Y561-I570 HydrophobicContact CD2-CG2 3.99Å; Y561-I570 HydrophobicContact CG-CG2 3.42Å; Y561-I570 VanDerWaalsContact CG-CG2 3.42Å; I570-E572 PolarHBondContact O-N 3.38Å; I570-E572 VanDerWaalsContact O-N 3.14Å |
| 571 | D | 71.2 | Confident | 70.8 | Confident | 41 Ų | 41 | 90 Ų | 90 | 22% | 0.219 | 47% | 0.47 | C | S | . | . | trans | -78.8 | 94.3 | 169.6 | -168 | 33.8 | 0 | 0 | 0 | 109.1 | E562 K564 N573 S574 | E562-D571 PolarHBondContact O-N 2.69Å; K564-D571 HydrophobicContact CD-CB 4.43Å; K564-D571 VanDerWaalsContact CE-CG 3.43Å; K564-D571 WeakPolarHBondContact CE-OD1 3.46Å; K564-D571 HydrophobicContact CG-CB 3.98Å; K564-D571 IonicContact NZ-OD1 3.68Å; K564-D571 PolarHBondContact NZ-OD1 2.76Å; D571-N573 PolarHBondContact O-N 2.81Å; D571-S574 WeakPolarHBondContact O-CB 3.49Å; D571-S574 PolarHBondContact O-N 2.87Å; D571-S574 PolarHBondContact O-OG 3.15Å | ||
| 572 | E | 71.8 | Confident | 71.1 | Confident | 161 Ų | 161 | 91.1 Ų | 91.1 | 75% | 0.752 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -54.1 | -23.2 | -177.4 | -65.9 | -174.4 | 166.2 | 0 | 0 | 113.3 | I570 S574 | I570-E572 PolarHBondContact O-N 3.38Å; I570-E572 VanDerWaalsContact O-N 3.14Å; E572-S574 VanDerWaalsContact C-N 3.34Å; E572-S574 PolarHBondContact O-N 2.97Å |
| 573 | N | 75.1 | Confident | 71.9 | Confident | 152 Ų | 152 | 87.1 Ų | 87.1 | 81% | 0.813 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -79.9 | -9.9 | 178.5 | -67.4 | -25.4 | 0 | 0 | 0 | 114.7 | D571 | D571-N573 PolarHBondContact O-N 2.81Š|
| 574 | S | 76.1 | Confident | 73 | Confident | 16 Ų | 16 | 86.1 Ų | 86.1 | 11% | 0.112 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -101.3 | 23.1 | -169.9 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | E562 D571 E572 K576 | E562-S574 WeakPolarHBondContact CA-OG 3.36Å; E562-S574 WeakPolarHBondContact CB-OG 3.46Å; E562-S574 PolarHBondContact N-OG 3.19Å; D571-S574 WeakPolarHBondContact O-CB 3.49Å; D571-S574 PolarHBondContact O-N 2.87Å; D571-S574 PolarHBondContact O-OG 3.15Å; E572-S574 VanDerWaalsContact C-N 3.34Å; E572-S574 PolarHBondContact O-N 2.97Å; S574-K576 PolarHBondContact O-N 3.2Å; S574-K576 VanDerWaalsContact O-N 3.11Å |
| 575 | L | 78.2 | Confident | 73.9 | Confident | 82 Ų | 82 | 87.5 Ų | 87.5 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | trans | -57.2 | 114.5 | -178.8 | -179.2 | 71.9 | 0 | 0 | 0 | 111.5 | E559 Y561 | E559-L575 HydrophobicContact CB-CD1 3.7Å; E559-L575 HydrophobicContact CG-CD1 4Å; Y561-L575 HydrophobicContact CD1-CB 4.3Å; Y561-L575 HydrophobicContact CD1-CD1 4.39Å; Y561-L575 HydrophobicContact CE1-CB 4.04Å; Y561-L575 HydrophobicContact CE1-CD1 3.9Å; Y561-L575 HydrophobicContact CE2-CD1 4.02Å | ||
| 576 | K | 80 | Confident | 75.3 | Confident | 116 Ų | 116 | 83.9 Ų | 83.9 | 50% | 0.504 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.1 | 167.9 | -74.4 | 175.3 | 176.9 | 164.7 | 0 | 109.4 | V560 E562 S574 | V560-K576 WeakPolarHBondContact CB-O 3.33Å; V560-K576 PolarHBondContact N-O 3.28Å; V560-K576 PolarHBondContact O-N 3.12Å; E562-K576 IonicContact OE1-NZ 2.87Å; E562-K576 PolarHBondContact OE1-NZ 2.9Å; S574-K576 PolarHBondContact O-N 3.2Å; S574-K576 VanDerWaalsContact O-N 3.11Å |
| 577 | V | 84.1 | Confident | 76.8 | Confident | 85 Ų | 85 | 77.5 Ų | 77.5 | 52% | 0.515 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 114.5 | 174.5 | 179 | 0 | 0 | 0 | 0 | 107.6 | W557 | W557-V577 HydrophobicContact CB-CG1 3.72Å; W557-V577 HydrophobicContact CD2-CG1 3.97Å; W557-V577 HydrophobicContact CE3-CG1 3.71Å; W557-V577 HydrophobicContact CE3-CG2 4.49Å; W557-V577 HydrophobicContact CG-CG1 3.98Å; W557-V577 HydrophobicContact CZ3-CG1 4.47Å |
| 578 | I | 83.2 | Confident | 78.2 | Confident | 27 Ų | 27 | 73.3 Ų | 73.3 | 14% | 0.138 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128 | -178.8 | -54.7 | -173.2 | 0 | 0 | 0 | 109 | Y516 W557 V558 V560 E582 I583 | Y516-I578 HydrophobicContact CE1-CD1 3.65Å; Y516-I578 VanDerWaalsContact OH-CD1 3.27Å; Y516-I578 WeakPolarHBondContact OH-CD1 3.45Å; W557-I578 WeakPolarHBondContact CA-O 3.41Å; V558-I578 PolarHBondContact N-O 3.49Å; V558-I578 VanDerWaalsContact N-O 3.12Å; V558-I578 PolarHBondContact O-N 2.8Å; V558-I578 VanDerWaalsContact O-N 3.12Å; V560-I578 HydrophobicContact CB-CD1 4.19Å; V560-I578 HydrophobicContact CB-CG1 4.4Å; V560-I578 HydrophobicContact CG1-CD1 4.29Å; V560-I578 HydrophobicContact CG2-CB 4.5Å; V560-I578 HydrophobicContact CG2-CD1 3.82Å; V560-I578 HydrophobicContact CG2-CG1 3.98Å; I578-E582 HydrophobicContact CG2-CB 3.86Å; I578-E582 WeakPolarHBondContact CG2-OE2 3.43Å; I578-I583 HydrophobicContact CG2-CD1 4.15Å; I578-I583 HydrophobicContact CG2-CG1 3.66Å |
| 579 | S | 86.2 | Confident | 79.3 | Confident | 46 Ų | 46 | 69.7 Ų | 69.7 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 156.7 | -178.5 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | K581 E582 I583 | S579-K581 PolarHBondContact O-N 2.97Å; S579-K581 VanDerWaalsContact O-N 3.15Å; S579-E582 PolarHBondContact N-OE2 3.43Å; S579-E582 PolarHBondContact O-N 3.42Å; S579-E582 VanDerWaalsContact O-N 3.09Å; S579-E582 PolarHBondContact OG-OE2 2.84Å; S579-I583 PolarHBondContact O-N 2.93Å |
| 580 | V | 86.2 | Confident | 80.3 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.8 | -35.7 | 176 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | L548 S556 E582 I583 Q584 | L548-V580 HydrophobicContact CB-CG1 4.45Å; L548-V580 HydrophobicContact CB-CG2 3.47Å; L548-V580 VanDerWaalsContact CB-CG2 3.47Å; L548-V580 HydrophobicContact CD1-CG2 4.01Å; L548-V580 HydrophobicContact CG-CG2 4.3Å; S556-V580 WeakPolarHBondContact O-CG2 3.44Å; V580-E582 VanDerWaalsContact C-N 3.32Å; V580-E582 PolarHBondContact O-N 3.24Å; V580-I583 PolarHBondContact O-N 2.78Å; V580-Q584 HydrophobicContact CG1-CG 4.04Å; V580-Q584 WeakPolarHBondContact O-CB 3.38Å; V580-Q584 VanDerWaalsContact O-CG 3.3Å; V580-Q584 WeakPolarHBondContact O-CG 3.33Å; V580-Q584 PolarHBondContact O-N 3.34Å |
| 581 | K | 83.3 | Confident | 81.1 | Confident | 155 Ų | 155 | 65.6 Ų | 65.6 | 67% | 0.674 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64 | -36.6 | -179.3 | -68.4 | -176.9 | 173.8 | 177.7 | 0 | 112.3 | S579 R585 | S579-K581 PolarHBondContact O-N 2.97Å; S579-K581 VanDerWaalsContact O-N 3.15Å; K581-R585 VanDerWaalsContact O-CG 3.31Å; K581-R585 WeakPolarHBondContact O-CG 3.33Å; K581-R585 PolarHBondContact O-N 3.28Å; K581-R585 VanDerWaalsContact O-N 3.08Å |
| 582 | E | 85 | Confident | 81.1 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 176.6 | -71.2 | 167 | 153.2 | 0 | 0 | 111.2 | I578 S579 V580 R585 E586 | I578-E582 HydrophobicContact CG2-CB 3.86Å; I578-E582 WeakPolarHBondContact CG2-OE2 3.43Å; S579-E582 PolarHBondContact N-OE2 3.43Å; S579-E582 PolarHBondContact O-N 3.42Å; S579-E582 VanDerWaalsContact O-N 3.09Å; S579-E582 PolarHBondContact OG-OE2 2.84Å; V580-E582 VanDerWaalsContact C-N 3.32Å; V580-E582 PolarHBondContact O-N 3.24Å; E582-R585 WeakPolarHBondContact O-CB 3.32Å; E582-R585 PolarHBondContact O-N 2.88Å; E582-E586 PolarHBondContact O-N 3.38Å |
| 583 | I | 85.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.2 | -37.9 | 176.7 | -57.5 | 176.3 | 0 | 0 | 0 | 110.9 | Y516 L541 T544 T545 L548 V558 I578 S579 V580 R585 E586 L587 | Y516-I583 HydrophobicContact CD2-CD1 4.01Å; Y516-I583 HydrophobicContact CD2-CG1 4.3Å; Y516-I583 HydrophobicContact CD2-CG2 4.38Å; Y516-I583 HydrophobicContact CE2-CD1 4.09Å; Y516-I583 HydrophobicContact CE2-CG1 3.93Å; Y516-I583 HydrophobicContact CE2-CG2 4.34Å; L541-I583 HydrophobicContact CD2-CG2 4.06Å; T544-I583 WeakPolarHBondContact OG1-CG2 3.35Å; T545-I583 HydrophobicContact CG2-CB 4.18Å; T545-I583 HydrophobicContact CG2-CG2 3.56Å; L548-I583 HydrophobicContact CD1-CD1 3.5Å; V558-I583 HydrophobicContact CG2-CD1 4.41Å; I578-I583 HydrophobicContact CG2-CD1 4.15Å; I578-I583 HydrophobicContact CG2-CG1 3.66Å; S579-I583 PolarHBondContact O-N 2.93Å; V580-I583 PolarHBondContact O-N 2.78Å; I583-R585 VanDerWaalsContact C-N 3.35Å; I583-E586 PolarHBondContact O-N 2.75Å; I583-L587 WeakPolarHBondContact O-CB 3.48Å; I583-L587 PolarHBondContact O-N 3.48Å |
| 584 | Q | 84.5 | Confident | 81 | Confident | 77 Ų | 77 | 53.3 Ų | 53.3 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 173.9 | -79.3 | 176.1 | -18.7 | 0 | 0 | 112.2 | T545 V580 L587 V588 | T545-Q584 HydrophobicContact CG2-CG 3.83Å; V580-Q584 HydrophobicContact CG1-CG 4.04Å; V580-Q584 WeakPolarHBondContact O-CB 3.38Å; V580-Q584 VanDerWaalsContact O-CG 3.3Å; V580-Q584 WeakPolarHBondContact O-CG 3.33Å; V580-Q584 PolarHBondContact O-N 3.34Å; Q584-L587 PolarHBondContact O-N 2.94Å; Q584-V588 WeakPolarHBondContact O-CG2 3.42Å; Q584-V588 PolarHBondContact O-N 3.11Å |
| 585 | R | 82.4 | Confident | 80.6 | Confident | 125 Ų | 125 | 55.9 Ų | 55.9 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 172.3 | -74.9 | 170.1 | 173.8 | 172.1 | -0.3 | 110.9 | K581 E582 I583 L587 V588 V589 L630 | K581-R585 VanDerWaalsContact O-CG 3.31Å; K581-R585 WeakPolarHBondContact O-CG 3.33Å; K581-R585 PolarHBondContact O-N 3.28Å; K581-R585 VanDerWaalsContact O-N 3.08Å; E582-R585 WeakPolarHBondContact O-CB 3.32Å; E582-R585 PolarHBondContact O-N 2.88Å; I583-R585 VanDerWaalsContact C-N 3.35Å; R585-L587 VanDerWaalsContact C-N 3.34Å; R585-L587 PolarHBondContact O-N 2.97Å; R585-V588 PolarHBondContact O-N 3.02Å; R585-V589 WeakPolarHBondContact O-CG2 3.26Å; R585-V589 PolarHBondContact O-N 2.63Å; R585-L630 PolarHBondContact NE-O 2.82Å |
| 586 | E | 83.8 | Confident | 80 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 177.4 | -163.7 | 177.1 | 178.5 | 0 | 0 | 111.6 | Y516 R523 Y537 L541 E582 I583 A590 | Y516-E586 PolarHBondContact OH-OE2 2.98Å; R523-E586 IonicContact CZ-OE1 2.7Å; R523-E586 IonicContact NE-OE1 3.29Å; R523-E586 IonicContact NH1-OE1 3.84Å; R523-E586 PolarHBondContact NH1-OE1 3.43Å; Y537-E586 WeakPolarHBondContact OH-CG 3.43Å; Y537-E586 PolarHBondContact OH-OE1 3.32Å; L541-E586 HydrophobicContact CD1-CB 4.31Å; L541-E586 HydrophobicContact CD1-CG 3.85Å; L541-E586 HydrophobicContact CD2-CG 4.34Å; E582-E586 PolarHBondContact O-N 3.38Å; I583-E586 PolarHBondContact O-N 2.75Å; E586-A590 VanDerWaalsContact O-CB 3.3Å; E586-A590 WeakPolarHBondContact O-CB 3.39Å; E586-A590 PolarHBondContact O-N 2.95Å |
| 587 | L | 84.8 | Confident | 78.9 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -48 | 176 | 176.6 | 62.9 | 0 | 0 | 0 | 111.8 | V538 L541 A542 T545 I583 Q584 R585 V589 A590 T591 | V538-L587 HydrophobicContact CG1-CD1 4.1Å; V538-L587 WeakPolarHBondContact O-CD1 3.3Å; L541-L587 HydrophobicContact CB-CB 4.18Å; L541-L587 HydrophobicContact CB-CD1 3.8Å; A542-L587 HydrophobicContact CB-CD1 4.11Å; A542-L587 HydrophobicContact CB-CD2 4.39Å; T545-L587 HydrophobicContact CG2-CD2 4.06Å; I583-L587 WeakPolarHBondContact O-CB 3.48Å; I583-L587 PolarHBondContact O-N 3.48Å; Q584-L587 PolarHBondContact O-N 2.94Å; R585-L587 VanDerWaalsContact C-N 3.34Å; R585-L587 PolarHBondContact O-N 2.97Å; L587-V589 PolarHBondContact O-N 3.28Å; L587-A590 PolarHBondContact O-N 3.24Å; L587-T591 HydrophobicContact CD1-CG2 3.91Å; L587-T591 HydrophobicContact CG-CG2 4.3Å; L587-T591 VanDerWaalsContact O-CG2 3.26Å; L587-T591 WeakPolarHBondContact O-CG2 3.11Å; L587-T591 PolarHBondContact O-N 3.16Å; L587-T591 PolarHBondContact O-OG1 3.45Å |
| 588 | V | 81.4 | Confident | 77.5 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 18% | 0.176 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | -177.4 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | Q584 R585 A590 T591 A592 L627 L630 | Q584-V588 WeakPolarHBondContact O-CG2 3.42Å; Q584-V588 PolarHBondContact O-N 3.11Å; R585-V588 PolarHBondContact O-N 3.02Å; V588-A590 PolarHBondContact O-N 3.03Å; V588-T591 WeakPolarHBondContact CA-OG1 3.21Å; V588-T591 PolarHBondContact O-N 2.7Å; V588-T591 PolarHBondContact O-OG1 2.9Å; V588-A592 WeakPolarHBondContact O-CB 3.36Å; V588-A592 PolarHBondContact O-N 3.47Å; V588-L627 HydrophobicContact CG1-CD2 4.45Å; V588-L627 HydrophobicContact CG1-CG 4.01Å; V588-L630 HydrophobicContact CB-CD1 3.95Å; V588-L630 HydrophobicContact CG1-CD1 3.89Å; V588-L630 HydrophobicContact CG2-CD1 3.55Å |
| 589 | V | 79.9 | Confident | 75.8 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 34% | 0.339 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.4 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | R585 L587 A592 G593 L627 | R585-V589 WeakPolarHBondContact O-CG2 3.26Å; R585-V589 PolarHBondContact O-N 2.63Å; L587-V589 PolarHBondContact O-N 3.28Å; V589-A592 PolarHBondContact O-N 3.21Å; V589-G593 PolarHBondContact O-N 3.49Å; V589-L627 HydrophobicContact CG2-CD2 4.32Å |
| 590 | A | 79.5 | Confident | 73.8 | Confident | 11 Ų | 11 | 60 Ų | 60 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y537 V538 L541 E586 L587 V588 G593 Q594 | Y537-A590 HydrophobicContact CD1-CB 4.08Å; Y537-A590 HydrophobicContact CE1-CB 3.66Å; V538-A590 HydrophobicContact CG2-CB 3.74Å; L541-A590 HydrophobicContact CD1-CB 4.19Å; E586-A590 VanDerWaalsContact O-CB 3.3Å; E586-A590 WeakPolarHBondContact O-CB 3.39Å; E586-A590 PolarHBondContact O-N 2.95Å; L587-A590 PolarHBondContact O-N 3.24Å; V588-A590 PolarHBondContact O-N 3.03Å; A590-G593 PolarHBondContact O-N 3.39Å; A590-Q594 WeakPolarHBondContact O-CB 3.39Å; A590-Q594 PolarHBondContact O-N 3.33Å |
| 591 | T | 79.9 | Confident | 71.5 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 176.1 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | V538 L587 V588 Q594 L595 | V538-T591 HydrophobicContact CG1-CG2 3.51Å; L587-T591 HydrophobicContact CD1-CG2 3.91Å; L587-T591 HydrophobicContact CG-CG2 4.3Å; L587-T591 VanDerWaalsContact O-CG2 3.26Å; L587-T591 WeakPolarHBondContact O-CG2 3.11Å; L587-T591 PolarHBondContact O-N 3.16Å; L587-T591 PolarHBondContact O-OG1 3.45Å; V588-T591 WeakPolarHBondContact CA-OG1 3.21Å; V588-T591 PolarHBondContact O-N 2.7Å; V588-T591 PolarHBondContact O-OG1 2.9Å; T591-Q594 PolarHBondContact O-N 2.94Å; T591-L595 WeakPolarHBondContact O-CB 3.33Å; T591-L595 WeakPolarHBondContact O-CG 3.48Å; T591-L595 PolarHBondContact O-N 3.24Å |
| 592 | A | 72.4 | Confident | 69.6 | Low | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V588 V589 Q594 L595 A596 L611 L615 L627 | V588-A592 WeakPolarHBondContact O-CB 3.36Å; V588-A592 PolarHBondContact O-N 3.47Å; V589-A592 PolarHBondContact O-N 3.21Å; A592-Q594 VanDerWaalsContact C-N 3.3Å; A592-Q594 PolarHBondContact O-N 3.46Å; A592-L595 PolarHBondContact O-N 3.41Å; A592-A596 PolarHBondContact O-N 3.24Å; A592-L611 VanDerWaalsContact C-CD2 3.42Å; A592-L611 HydrophobicContact CB-CD2 3.77Å; A592-L611 WeakPolarHBondContact O-CD2 3.49Å; A592-L615 HydrophobicContact CB-CD1 3.97Å; A592-L627 HydrophobicContact CB-CD1 3.29Å; A592-L627 HydrophobicContact CB-CG 4.22Å |
| 593 | G | 72.9 | Confident | 68 | Low | 22 Ų | 22 | 69.5 Ų | 69.5 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -31.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V589 A590 | V589-G593 PolarHBondContact O-N 3.49Å; A590-G593 PolarHBondContact O-N 3.39Å |
| 594 | Q | 72.3 | Confident | 66 | Low | 72 Ų | 72 | 75.2 Ų | 75.2 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 174.3 | -171 | -170.4 | -4.9 | 0 | 0 | 112.1 | A590 T591 A592 | A590-Q594 WeakPolarHBondContact O-CB 3.39Å; A590-Q594 PolarHBondContact O-N 3.33Å; T591-Q594 PolarHBondContact O-N 2.94Å; A592-Q594 VanDerWaalsContact C-N 3.3Å; A592-Q594 PolarHBondContact O-N 3.46Å |
| 595 | L | 67.3 | Low | 64.6 | Low | 71 Ų | 71 | 73.7 Ų | 73.7 | 37% | 0.372 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -81.3 | -19.4 | -177.2 | -77.1 | 170.3 | 0 | 0 | 0 | 113.5 | T591 A592 D597 Q618 K620 L623 | T591-L595 WeakPolarHBondContact O-CB 3.33Å; T591-L595 WeakPolarHBondContact O-CG 3.48Å; T591-L595 PolarHBondContact O-N 3.24Å; A592-L595 PolarHBondContact O-N 3.41Å; L595-D597 PolarHBondContact O-N 2.95Å; L595-Q618 PolarHBondContact O-OE1 3.3Å; L595-Q618 VanDerWaalsContact O-OE1 3.12Å; L595-K620 HydrophobicContact CB-CD 4.35Å; L595-K620 PolarHBondContact O-NZ 3.5Å; L595-L623 HydrophobicContact CD1-CD1 3.41Å; L595-L623 VanDerWaalsContact CD1-CD1 3.41Å |
| 596 | A | 64.7 | Low | 63.6 | Low | 13 Ų | 13 | 76.1 Ų | 76.1 | 11% | 0.107 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -64.1 | 103.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A592 R598 L611 | A592-A596 PolarHBondContact O-N 3.24Å; A596-R598 PolarHBondContact O-N 3.45Å; A596-R598 VanDerWaalsContact O-N 3.14Å; A596-L611 HydrophobicContact CB-CD2 4.25Å |
| 597 | D | 57.7 | Low | 63.1 | Low | 106 Ų | 106 | 80.3 Ų | 80.3 | 57% | 0.567 | 44% | 0.435 | S | S | * | . | trans | -52.9 | 114.6 | 177.1 | -142.9 | 7.6 | 0 | 0 | 0 | 110.5 | L595 S599 Q618 | L595-D597 PolarHBondContact O-N 2.95Å; D597-S599 PolarHBondContact O-N 3Å; D597-S599 VanDerWaalsContact O-N 3.09Å; D597-Q618 HydrophobicContact CB-CG 4.44Å; D597-Q618 VanDerWaalsContact N-CD 3.29Å; D597-Q618 PolarHBondContact O-NE2 3.39Å | ||
| 598 | R | 54.4 | Low | 62.6 | Low | 142 Ų | 142 | 81 Ų | 81 | 54% | 0.536 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 9.6 | -172.7 | -63.6 | -175 | 179.1 | -179.2 | -0.1 | 113.7 | F529 A596 S600 | F529-R598 PolarHBondContact O-NH1 2.99Å; A596-R598 PolarHBondContact O-N 3.45Å; A596-R598 VanDerWaalsContact O-N 3.14Å; R598-S600 VanDerWaalsContact C-N 3.34Å; R598-S600 PolarHBondContact O-N 2.88Å |
| 599 | S | 47.9 | Very low | 62.3 | Low | 101 Ų | 101 | 81 Ų | 81 | 71% | 0.706 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.9 | -167.6 | 53.1 | 0 | 0 | 0 | 0 | 114.6 | D597 | D597-S599 PolarHBondContact O-N 3Å; D597-S599 VanDerWaalsContact O-N 3.09Å |
| 600 | S | 43.6 | Very low | 62.2 | Low | 80 Ų | 80 | 82.1 Ų | 82.1 | 56% | 0.559 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -111 | 126.3 | 176 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | R598 L602 | R598-S600 VanDerWaalsContact C-N 3.34Å; R598-S600 PolarHBondContact O-N 2.88Å; S600-L602 PolarHBondContact O-N 2.96Å |
| 601 | S | 37.5 | Very low | 62.1 | Low | 128 Ų | 128 | 82 Ų | 82 | 90% | 0.895 | 44% | 0.44 | S | S | * | . | trans | -65.5 | 38.4 | -172.2 | 54.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 602 | L | 43.2 | Very low | 62.2 | Low | 149 Ų | 149 | 80.5 Ų | 80.5 | 78% | 0.78 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -113.6 | 142.7 | 175.9 | -83.8 | 123.9 | 0 | 0 | 0 | 111 | S600 | S600-L602 PolarHBondContact O-N 2.96Š|
| 603 | E | 52.3 | Low | 62.4 | Low | 188 Ų | 188 | 85.3 Ų | 85.3 | 88% | 0.879 | 45% | 0.448 | S | S | * | . | trans | -38.7 | 139.1 | -177.8 | -67.6 | 173.1 | 155.2 | 0 | 0 | 112.7 | ||||
| 604 | E | 43.9 | Very low | 62.7 | Low | 120 Ų | 120 | 85.4 Ų | 85.4 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | trans | -52.1 | 130.7 | -176.1 | -67.2 | -172.3 | 150.6 | 0 | 0 | 110.5 | F529 E606 | F529-E604 WeakPolarHBondContact CE1-OE1 3.48Å; E604-E606 VanDerWaalsContact C-N 3.29Å; E604-E606 PolarHBondContact O-N 3.41Å | ||
| 605 | P | 55.6 | Low | 63 | Low | 45 Ų | 45 | 82 Ų | 82 | 29% | 0.292 | 43% | 0.432 | S | S | . | . | trans | -68.4 | 91.5 | 175 | 27.8 | -32.6 | 0 | 0 | 0 | 109.1 | Q610 L611 | P605-Q610 HydrophobicContact CB-CB 3.56Å; P605-L611 HydrophobicContact CB-CB 4.41Å; P605-L611 HydrophobicContact CB-CG 3.97Å; P605-L611 HydrophobicContact CG-CG 3.91Å | ||
| 606 | E | 61.1 | Low | 63.7 | Low | 176 Ų | 176 | 78.6 Ų | 78.6 | 82% | 0.822 | 41% | 0.414 | S | S | * | . | trans | -70.9 | -37 | 175.7 | -73.6 | -160.7 | 159.7 | 0 | 0 | 111 | E604 | E604-E606 VanDerWaalsContact C-N 3.29Å; E604-E606 PolarHBondContact O-N 3.41Å | ||
| 607 | E | 71.9 | Confident | 64.4 | Low | 118 Ų | 118 | 81.6 Ų | 81.6 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -96 | 142.9 | -176.1 | -64.1 | -137.7 | 170.2 | 0 | 0 | 111.6 | D609 Q610 L611 | E607-D609 WeakPolarHBondContact CB-OD1 3.4Å; E607-D609 PolarHBondContact O-N 3.34Å; E607-Q610 HydrophobicContact CB-CG 4.45Å; E607-Q610 WeakPolarHBondContact O-CB 3.26Å; E607-Q610 PolarHBondContact O-N 2.87Å; E607-L611 PolarHBondContact O-N 3.14Å |
| 608 | P | 74.2 | Confident | 65.3 | Low | 42 Ų | 42 | 79.6 Ų | 79.6 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.1 | -22.1 | -173.2 | 27.3 | -35.2 | 0 | 0 | 0 | 112.9 | L611 V612 L627 C631 I633 | P608-L611 PolarHBondContact O-N 3.22Å; P608-V612 WeakPolarHBondContact O-CG2 3.16Å; P608-V612 PolarHBondContact O-N 3.44Å; P608-L627 HydrophobicContact CB-CD2 4.16Å; P608-C631 HydrophobicContact CB-CB 4.25Å; P608-C631 HydrophobicContact CG-CB 4.42Å; P608-I633 HydrophobicContact CB-CD1 4.06Å; P608-I633 HydrophobicContact CG-CD1 4.45Å |
| 609 | D | 76 | Confident | 66.4 | Low | 29 Ų | 29 | 74.5 Ų | 74.5 | 16% | 0.155 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 171.7 | 69.6 | -45.5 | 0 | 0 | 0 | 112.1 | E607 L611 V612 R613 | E607-D609 WeakPolarHBondContact CB-OD1 3.4Å; E607-D609 PolarHBondContact O-N 3.34Å; D609-L611 VanDerWaalsContact C-N 3.31Å; D609-L611 PolarHBondContact O-N 2.9Å; D609-V612 PolarHBondContact O-N 3.44Å; D609-R613 WeakPolarHBondContact O-CG 3.26Å; D609-R613 PolarHBondContact O-N 3.48Å; D609-R613 IonicContact OD2-CZ 2.64Å; D609-R613 IonicContact OD2-NH1 2.83Å; D609-R613 PolarHBondContact OD2-NH1 2.82Å; D609-R613 IonicContact OD2-NH2 3.92Å; D609-R613 PolarHBondContact OD2-NH2 3.31Å; D609-R613 VanDerWaalsContact OD2-NH2 3.12Å |
| 610 | Q | 78.3 | Confident | 67.9 | Low | 79 Ų | 79 | 72.9 Ų | 72.9 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 174.1 | -59.4 | -178.9 | 8.9 | 0 | 0 | 110.9 | P605 E607 R613 A614 | P605-Q610 HydrophobicContact CB-CB 3.56Å; E607-Q610 HydrophobicContact CB-CG 4.45Å; E607-Q610 WeakPolarHBondContact O-CB 3.26Å; E607-Q610 PolarHBondContact O-N 2.87Å; Q610-R613 PolarHBondContact O-N 3.1Å; Q610-A614 PolarHBondContact O-N 3.01Å |
| 611 | L | 77.3 | Confident | 69.8 | Low | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | 173.6 | -108.9 | 155.3 | 0 | 0 | 0 | 112.4 | A592 A596 P605 E607 P608 D609 A614 L615 L627 | A592-L611 VanDerWaalsContact C-CD2 3.42Å; A592-L611 HydrophobicContact CB-CD2 3.77Å; A592-L611 WeakPolarHBondContact O-CD2 3.49Å; A596-L611 HydrophobicContact CB-CD2 4.25Å; P605-L611 HydrophobicContact CB-CB 4.41Å; P605-L611 HydrophobicContact CB-CG 3.97Å; P605-L611 HydrophobicContact CG-CG 3.91Å; E607-L611 PolarHBondContact O-N 3.14Å; P608-L611 PolarHBondContact O-N 3.22Å; D609-L611 VanDerWaalsContact C-N 3.31Å; D609-L611 PolarHBondContact O-N 2.9Å; L611-A614 PolarHBondContact O-N 2.97Å; L611-L615 WeakPolarHBondContact O-CB 3.46Å; L611-L615 VanDerWaalsContact O-CG 3.29Å; L611-L615 WeakPolarHBondContact O-CG 3.47Å; L611-L615 PolarHBondContact O-N 3.38Å; L611-L627 HydrophobicContact CB-CD1 4.33Å |
| 612 | V | 81.8 | Confident | 71.8 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 172.2 | 166.6 | 0 | 0 | 0 | 0 | 110.6 | P608 D609 L615 V616 A624 L627 I633 F638 | P608-V612 WeakPolarHBondContact O-CG2 3.16Å; P608-V612 PolarHBondContact O-N 3.44Å; D609-V612 PolarHBondContact O-N 3.44Å; V612-L615 PolarHBondContact O-N 3.39Å; V612-V616 HydrophobicContact CG1-CG2 4.45Å; V612-V616 WeakPolarHBondContact O-CB 3.42Å; V612-V616 VanDerWaalsContact O-CG2 3.27Å; V612-V616 WeakPolarHBondContact O-CG2 3.5Å; V612-V616 PolarHBondContact O-N 2.9Å; V612-A624 HydrophobicContact CG1-CB 4.25Å; V612-L627 HydrophobicContact CG2-CB 3.85Å; V612-I633 HydrophobicContact CG2-CD1 3.69Å; V612-F638 HydrophobicContact CG1-CB 4.34Å; V612-F638 HydrophobicContact CG1-CD2 4.19Å |
| 613 | R | 77.3 | Confident | 73.5 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 38% | 0.381 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 176.8 | -65.8 | -178.3 | -162.3 | 101.4 | 7.3 | 111.7 | D609 Q610 L615 V616 D617 E637 | D609-R613 WeakPolarHBondContact O-CG 3.26Å; D609-R613 PolarHBondContact O-N 3.48Å; D609-R613 IonicContact OD2-CZ 2.64Å; D609-R613 IonicContact OD2-NH1 2.83Å; D609-R613 PolarHBondContact OD2-NH1 2.82Å; D609-R613 IonicContact OD2-NH2 3.92Å; D609-R613 PolarHBondContact OD2-NH2 3.31Å; D609-R613 VanDerWaalsContact OD2-NH2 3.12Å; Q610-R613 PolarHBondContact O-N 3.1Å; R613-L615 PolarHBondContact O-N 3.02Å; R613-V616 PolarHBondContact O-N 3.25Å; R613-D617 PolarHBondContact O-N 3.43Å; R613-E637 IonicContact NH2-OE1 3.86Å |
| 614 | A | 78.3 | Confident | 74.8 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 21% | 0.207 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q610 L611 D617 Q618 | Q610-A614 PolarHBondContact O-N 3.01Å; L611-A614 PolarHBondContact O-N 2.97Å; A614-D617 PolarHBondContact O-N 3.15Å; A614-Q618 VanDerWaalsContact O-CG 3.29Å; A614-Q618 WeakPolarHBondContact O-CG 3.17Å; A614-Q618 PolarHBondContact O-N 3.05Å |
| 615 | L | 78.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 176.7 | -74 | 174.8 | 0 | 0 | 0 | 112.6 | A592 L611 V612 R613 Q618 G619 K620 L623 A624 L627 | A592-L615 HydrophobicContact CB-CD1 3.97Å; L611-L615 WeakPolarHBondContact O-CB 3.46Å; L611-L615 VanDerWaalsContact O-CG 3.29Å; L611-L615 WeakPolarHBondContact O-CG 3.47Å; L611-L615 PolarHBondContact O-N 3.38Å; V612-L615 PolarHBondContact O-N 3.39Å; R613-L615 PolarHBondContact O-N 3.02Å; L615-Q618 PolarHBondContact O-N 3.44Å; L615-G619 PolarHBondContact O-N 3.28Å; L615-K620 HydrophobicContact CB-CB 4.36Å; L615-K620 HydrophobicContact CD2-CB 4.04Å; L615-K620 HydrophobicContact CD2-CD 3.89Å; L615-K620 WeakPolarHBondContact O-CA 3.29Å; L615-K620 PolarHBondContact O-N 2.86Å; L615-L623 HydrophobicContact CD1-CB 4.07Å; L615-A624 HydrophobicContact CB-CB 4Å; L615-L627 HydrophobicContact CD1-CD1 3.52Å |
| 616 | V | 82.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | V612 R613 Q618 G619 H621 A624 F638 S641 V642 F645 | V612-V616 HydrophobicContact CG1-CG2 4.45Å; V612-V616 WeakPolarHBondContact O-CB 3.42Å; V612-V616 VanDerWaalsContact O-CG2 3.27Å; V612-V616 WeakPolarHBondContact O-CG2 3.5Å; V612-V616 PolarHBondContact O-N 2.9Å; R613-V616 PolarHBondContact O-N 3.25Å; V616-Q618 VanDerWaalsContact C-N 3.27Å; V616-Q618 PolarHBondContact O-N 3.23Å; V616-G619 PolarHBondContact O-N 3.23Å; V616-H621 PolarHBondContact O-CE1 3.38Å; V616-A624 HydrophobicContact CG2-CB 3.62Å; V616-F638 HydrophobicContact CG2-CD2 3.97Å; V616-F638 HydrophobicContact CG2-CE2 3.94Å; V616-S641 WeakPolarHBondContact CG1-O 3.25Å; V616-V642 HydrophobicContact CG1-CG2 4.06Å; V616-V642 HydrophobicContact CG2-CG2 4.35Å; V616-F645 HydrophobicContact CG1-CB 3.93Å; V616-F645 HydrophobicContact CG1-CG 4.37Å; V616-F645 WeakPolarHBondContact O-CD2 3.48Å |
| 617 | D | 78.1 | Confident | 78.6 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 40% | 0.401 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.4 | -30.1 | 176.3 | -83.5 | -21.1 | 0 | 0 | 0 | 112.6 | R613 A614 G619 R648 | R613-D617 PolarHBondContact O-N 3.43Å; A614-D617 PolarHBondContact O-N 3.15Å; D617-G619 VanDerWaalsContact C-N 3.31Å; D617-G619 PolarHBondContact O-N 3.18Å; D617-R648 VanDerWaalsContact CG-NH1 3.26Å; D617-R648 IonicContact OD1-NH1 3.56Å; D617-R648 PolarHBondContact OD1-NH1 3.25Å; D617-R648 IonicContact OD2-NH1 3.44Å; D617-R648 PolarHBondContact OD2-NH1 3.01Å |
| 618 | Q | 76.9 | Confident | 79.1 | Confident | 64 Ų | 64 | 41.9 Ų | 41.9 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.6 | 173.4 | -68.9 | 173.1 | 18.3 | 0 | 0 | 114.2 | L595 D597 A614 L615 V616 | L595-Q618 PolarHBondContact O-OE1 3.3Å; L595-Q618 VanDerWaalsContact O-OE1 3.12Å; D597-Q618 HydrophobicContact CB-CG 4.44Å; D597-Q618 VanDerWaalsContact N-CD 3.29Å; D597-Q618 PolarHBondContact O-NE2 3.39Å; A614-Q618 VanDerWaalsContact O-CG 3.29Å; A614-Q618 WeakPolarHBondContact O-CG 3.17Å; A614-Q618 PolarHBondContact O-N 3.05Å; L615-Q618 PolarHBondContact O-N 3.44Å; V616-Q618 VanDerWaalsContact C-N 3.27Å; V616-Q618 PolarHBondContact O-N 3.23Å |
| 619 | G | 78.5 | Confident | 79.3 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 10.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L615 V616 D617 H621 | L615-G619 PolarHBondContact O-N 3.28Å; V616-G619 PolarHBondContact O-N 3.23Å; D617-G619 VanDerWaalsContact C-N 3.31Å; D617-G619 PolarHBondContact O-N 3.18Å; G619-H621 VanDerWaalsContact C-N 3.33Å; G619-H621 PolarHBondContact O-CD2 2.79Å; G619-H621 PolarHBondContact O-N 2.93Å |
| 620 | K | 79.1 | Confident | 79.2 | Confident | 67 Ų | 67 | 46.5 Ų | 46.5 | 29% | 0.291 | 23% | 0.232 | S | C | . | . | trans | -89.9 | 56.1 | -179.6 | -65.7 | -179.7 | -177.2 | 171.4 | 0 | 112.1 | L595 L615 E622 L623 A624 | L595-K620 HydrophobicContact CB-CD 4.35Å; L595-K620 PolarHBondContact O-NZ 3.5Å; L615-K620 HydrophobicContact CB-CB 4.36Å; L615-K620 HydrophobicContact CD2-CB 4.04Å; L615-K620 HydrophobicContact CD2-CD 3.89Å; L615-K620 WeakPolarHBondContact O-CA 3.29Å; L615-K620 PolarHBondContact O-N 2.86Å; K620-E622 PolarHBondContact O-N 3.35Å; K620-L623 HydrophobicContact CB-CD1 4.35Å; K620-L623 HydrophobicContact CD-CD1 4.25Å; K620-L623 PolarHBondContact O-N 2.74Å; K620-A624 PolarHBondContact O-N 3.47Å | ||
| 621 | H | 82.5 | Confident | 79 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 11% | 0.106 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -33.1 | -169.2 | -49.9 | -57.9 | 0 | 0 | 0 | 115 | V616 G619 A624 E625 F645 L668 Y672 | V616-H621 PolarHBondContact O-CE1 3.38Å; G619-H621 VanDerWaalsContact C-N 3.33Å; G619-H621 PolarHBondContact O-CD2 2.79Å; G619-H621 PolarHBondContact O-N 2.93Å; H621-A624 PolarHBondContact O-N 2.61Å; H621-E625 WeakPolarHBondContact O-CB 3.38Å; H621-E625 PolarHBondContact O-N 3.25Å; H621-F645 AromaticContact CE1-CD1 3.65Å; H621-F645 AromaticContact CE1-CE1 3.55Å; H621-F645 AromaticContact NE2-CE1 3.56Å; H621-L668 WeakPolarHBondContact NE2-CD2 3.37Å; H621-Y672 HydrophobicContact CB-CE2 4.17Å; H621-Y672 WeakPolarHBondContact CB-OH 3.41Å |
| 622 | E | 80.4 | Confident | 79 | Confident | 140 Ų | 140 | 48.7 Ų | 48.7 | 65% | 0.654 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -70.4 | -36.6 | 178.7 | -66.5 | -174.3 | 177.1 | 0 | 0 | 113 | K620 E625 K626 | K620-E622 PolarHBondContact O-N 3.35Å; E622-E625 PolarHBondContact O-N 3.48Å; E622-K626 WeakPolarHBondContact O-CB 3.5Å; E622-K626 WeakPolarHBondContact O-CG 3.43Å; E622-K626 PolarHBondContact O-N 2.91Å |
| 623 | L | 77.9 | Confident | 78.7 | Confident | 53 Ų | 53 | 49.6 Ų | 49.6 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 175 | -75.3 | 167.7 | 0 | 0 | 0 | 110.2 | L595 L615 K620 K626 L627 | L595-L623 HydrophobicContact CD1-CD1 3.41Å; L595-L623 VanDerWaalsContact CD1-CD1 3.41Å; L615-L623 HydrophobicContact CD1-CB 4.07Å; K620-L623 HydrophobicContact CB-CD1 4.35Å; K620-L623 HydrophobicContact CD-CD1 4.25Å; K620-L623 PolarHBondContact O-N 2.74Å; L623-K626 PolarHBondContact O-N 3.27Å; L623-L627 WeakPolarHBondContact O-CB 3.35Å; L623-L627 PolarHBondContact O-N 3.47Å |
| 624 | A | 81.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V612 L615 V616 K620 H621 L627 T628 F638 | V612-A624 HydrophobicContact CG1-CB 4.25Å; L615-A624 HydrophobicContact CB-CB 4Å; V616-A624 HydrophobicContact CG2-CB 3.62Å; K620-A624 PolarHBondContact O-N 3.47Å; H621-A624 PolarHBondContact O-N 2.61Å; A624-L627 PolarHBondContact O-N 3.37Å; A624-T628 WeakPolarHBondContact O-CB 3.3Å; A624-T628 PolarHBondContact O-N 2.78Å; A624-T628 PolarHBondContact O-OG1 3.49Å; A624-F638 HydrophobicContact CB-CD2 4.06Å; A624-F638 HydrophobicContact CB-CE2 3.86Å |
| 625 | E | 81.4 | Confident | 78.9 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 174.6 | -171.3 | -172.4 | 179.3 | 0 | 0 | 111.2 | H621 E622 L627 T628 I629 F638 R675 | H621-E625 WeakPolarHBondContact O-CB 3.38Å; H621-E625 PolarHBondContact O-N 3.25Å; E622-E625 PolarHBondContact O-N 3.48Å; E625-L627 PolarHBondContact O-N 2.84Å; E625-T628 WeakPolarHBondContact O-CB 3.47Å; E625-T628 PolarHBondContact O-N 3.37Å; E625-I629 HydrophobicContact CG-CD1 3.97Å; E625-I629 VanDerWaalsContact O-CG1 3.31Å; E625-I629 WeakPolarHBondContact O-CG1 3.35Å; E625-I629 PolarHBondContact O-N 3.4Å; E625-F638 HydrophobicContact CB-CE2 4.39Å; E625-F638 HydrophobicContact CB-CZ 4.09Å; E625-R675 IonicContact OE1-CZ 3.48Å; E625-R675 IonicContact OE1-NE 2.66Å; E625-R675 PolarHBondContact OE1-NE 2.87Å; E625-R675 VanDerWaalsContact OE1-NE 3.16Å; E625-R675 IonicContact OE1-NH1 2.68Å; E625-R675 IonicContact OE1-NH2 3.75Å; E625-R675 PolarHBondContact OE1-NH2 2.85Å; E625-R675 VanDerWaalsContact OE1-NH2 3.13Å; E625-R675 IonicContact OE2-CZ 2.88Å; E625-R675 IonicContact OE2-NH1 3.87Å; E625-R675 IonicContact OE2-NH2 3.67Å |
| 626 | K | 79.5 | Confident | 79 | Confident | 120 Ų | 120 | 48.9 Ų | 48.9 | 52% | 0.522 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.6 | -78.4 | 177.9 | -178.4 | 171.5 | 0 | 112.6 | E622 L623 T628 I629 L630 | E622-K626 WeakPolarHBondContact O-CB 3.5Å; E622-K626 WeakPolarHBondContact O-CG 3.43Å; E622-K626 PolarHBondContact O-N 2.91Å; L623-K626 PolarHBondContact O-N 3.27Å; K626-T628 VanDerWaalsContact C-N 3.33Å; K626-I629 PolarHBondContact O-N 3.5Å; K626-L630 VanDerWaalsContact O-CB 3.28Å; K626-L630 WeakPolarHBondContact O-CB 3.29Å; K626-L630 VanDerWaalsContact O-CG 3.29Å; K626-L630 WeakPolarHBondContact O-CG 3.28Å; K626-L630 PolarHBondContact O-N 2.92Å |
| 627 | L | 79.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 173 | -112.3 | 165.7 | 0 | 0 | 0 | 110.7 | V588 V589 A592 P608 L611 V612 L615 L623 A624 E625 I629 L630 C631 | V588-L627 HydrophobicContact CG1-CD2 4.45Å; V588-L627 HydrophobicContact CG1-CG 4.01Å; V589-L627 HydrophobicContact CG2-CD2 4.32Å; A592-L627 HydrophobicContact CB-CD1 3.29Å; A592-L627 HydrophobicContact CB-CG 4.22Å; P608-L627 HydrophobicContact CB-CD2 4.16Å; L611-L627 HydrophobicContact CB-CD1 4.33Å; V612-L627 HydrophobicContact CG2-CB 3.85Å; L615-L627 HydrophobicContact CD1-CD1 3.52Å; L623-L627 WeakPolarHBondContact O-CB 3.35Å; L623-L627 PolarHBondContact O-N 3.47Å; A624-L627 PolarHBondContact O-N 3.37Å; E625-L627 PolarHBondContact O-N 2.84Å; L627-I629 VanDerWaalsContact C-N 3.33Å; L627-I629 PolarHBondContact O-N 2.98Å; L627-L630 PolarHBondContact O-N 3.11Å; L627-C631 VanDerWaalsContact O-CB 3.26Å; L627-C631 WeakPolarHBondContact O-CB 3.36Å; L627-C631 PolarHBondContact O-N 3.09Å |
| 628 | T | 81.1 | Confident | 79.2 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 178.9 | -51.6 | 0 | 0 | 0 | 0 | 110.8 | A624 E625 K626 S632 I633 F638 | A624-T628 WeakPolarHBondContact O-CB 3.3Å; A624-T628 PolarHBondContact O-N 2.78Å; A624-T628 PolarHBondContact O-OG1 3.49Å; E625-T628 WeakPolarHBondContact O-CB 3.47Å; E625-T628 PolarHBondContact O-N 3.37Å; K626-T628 VanDerWaalsContact C-N 3.33Å; T628-S632 WeakPolarHBondContact O-CA 3.44Å; T628-S632 PolarHBondContact O-N 2.55Å; T628-S632 VanDerWaalsContact O-N 3.08Å; T628-I633 HydrophobicContact CG2-CB 3.96Å; T628-I633 HydrophobicContact CG2-CG2 4.39Å; T628-I633 VanDerWaalsContact CG2-O 3.24Å; T628-I633 WeakPolarHBondContact CG2-O 3Å; T628-I633 PolarHBondContact O-N 3.01Å; T628-F638 HydrophobicContact CG2-CB 3.98Å |
| 629 | I | 79.7 | Confident | 79.6 | Confident | 109 Ų | 109 | 45.6 Ų | 45.6 | 56% | 0.559 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -69.5 | -43.6 | 178.7 | -65.5 | 166.4 | 0 | 0 | 0 | 112.1 | E625 K626 L627 | E625-I629 HydrophobicContact CG-CD1 3.97Å; E625-I629 VanDerWaalsContact O-CG1 3.31Å; E625-I629 WeakPolarHBondContact O-CG1 3.35Å; E625-I629 PolarHBondContact O-N 3.4Å; K626-I629 PolarHBondContact O-N 3.5Å; L627-I629 VanDerWaalsContact C-N 3.33Å; L627-I629 PolarHBondContact O-N 2.98Å |
| 630 | L | 73.8 | Confident | 79.9 | Confident | 59 Ų | 59 | 44.7 Ų | 44.7 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -78.2 | -35.6 | -173.5 | -74.1 | 167.7 | 0 | 0 | 0 | 113.6 | R585 V588 K626 L627 S632 | R585-L630 PolarHBondContact NE-O 2.82Å; V588-L630 HydrophobicContact CB-CD1 3.95Å; V588-L630 HydrophobicContact CG1-CD1 3.89Å; V588-L630 HydrophobicContact CG2-CD1 3.55Å; K626-L630 VanDerWaalsContact O-CB 3.28Å; K626-L630 WeakPolarHBondContact O-CB 3.29Å; K626-L630 VanDerWaalsContact O-CG 3.29Å; K626-L630 WeakPolarHBondContact O-CG 3.28Å; K626-L630 PolarHBondContact O-N 2.92Å; L627-L630 PolarHBondContact O-N 3.11Å; L630-S632 VanDerWaalsContact C-N 3.34Å |
| 631 | C | 73.5 | Confident | 80.1 | Confident | 34 Ų | 34 | 42 Ų | 42 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -88.8 | -1.6 | 175.3 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | P608 L627 I633 | P608-C631 HydrophobicContact CB-CB 4.25Å; P608-C631 HydrophobicContact CG-CB 4.42Å; L627-C631 VanDerWaalsContact O-CB 3.26Å; L627-C631 WeakPolarHBondContact O-CB 3.36Å; L627-C631 PolarHBondContact O-N 3.09Å; C631-I633 VanDerWaalsContact C-N 3.3Å; C631-I633 HydrophobicContact CB-CD1 4.09Å; C631-I633 HydrophobicContact CB-CG1 3.98Å; C631-I633 PolarHBondContact O-N 2.81Å |
| 632 | S | 78.2 | Confident | 80.2 | Confident | 98 Ų | 98 | 40.9 Ų | 40.9 | 69% | 0.685 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 42.4 | 179.8 | 34.2 | 0 | 0 | 0 | 0 | 113 | T628 L630 | T628-S632 WeakPolarHBondContact O-CA 3.44Å; T628-S632 PolarHBondContact O-N 2.55Å; T628-S632 VanDerWaalsContact O-N 3.08Å; L630-S632 VanDerWaalsContact C-N 3.34Å |
| 633 | I | 75.1 | Confident | 80.3 | Confident | 20 Ų | 20 | 34.2 Ų | 34.2 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | trans | -77.6 | 141.1 | 174.2 | -57.9 | 168.2 | 0 | 0 | 0 | 108.2 | P608 V612 T628 C631 S635 E637 | P608-I633 HydrophobicContact CB-CD1 4.06Å; P608-I633 HydrophobicContact CG-CD1 4.45Å; V612-I633 HydrophobicContact CG2-CD1 3.69Å; T628-I633 HydrophobicContact CG2-CB 3.96Å; T628-I633 HydrophobicContact CG2-CG2 4.39Å; T628-I633 VanDerWaalsContact CG2-O 3.24Å; T628-I633 WeakPolarHBondContact CG2-O 3Å; T628-I633 PolarHBondContact O-N 3.01Å; C631-I633 VanDerWaalsContact C-N 3.3Å; C631-I633 HydrophobicContact CB-CD1 4.09Å; C631-I633 HydrophobicContact CB-CG1 3.98Å; C631-I633 PolarHBondContact O-N 2.81Å; I633-S635 PolarHBondContact O-N 3.49Å; I633-E637 HydrophobicContact CG2-CB 4.22Å; I633-E637 WeakPolarHBondContact CG2-OE2 3.48Å | ||
| 634 | P | 79.4 | Confident | 80.5 | Confident | 80 Ų | 80 | 32.6 Ų | 32.6 | 52% | 0.519 | 18% | 0.183 | S | C | . | . | trans | -55.4 | 129.8 | 177.6 | -24 | 33.6 | 0 | 0 | 0 | 111.6 | A636 E637 | P634-A636 PolarHBondContact O-N 3.3Å; P634-E637 PolarHBondContact O-N 2.89Å | ||
| 635 | S | 78.9 | Confident | 80.6 | Confident | 23 Ų | 23 | 33.8 Ų | 33.8 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.8 | -24.9 | -179.7 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | I633 F638 L639 | I633-S635 PolarHBondContact O-N 3.49Å; S635-F638 PolarHBondContact O-N 2.96Å; S635-L639 WeakPolarHBondContact O-CB 3.12Å; S635-L639 VanDerWaalsContact O-CG 3.26Å; S635-L639 WeakPolarHBondContact O-CG 3.33Å; S635-L639 PolarHBondContact O-N 3.31Å |
| 636 | A | 81.4 | Confident | 80.6 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 7% | 0.066 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -35.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P634 L639 C640 I685 E688 | P634-A636 PolarHBondContact O-N 3.3Å; A636-L639 PolarHBondContact O-N 3.38Å; A636-C640 VanDerWaalsContact O-CB 3.24Å; A636-C640 WeakPolarHBondContact O-CB 3.5Å; A636-C640 PolarHBondContact O-N 3.18Å; A636-C640 PolarHBondContact O-SG 3.45Å; A636-I685 HydrophobicContact CB-CG1 4.4Å; A636-E688 HydrophobicContact CB-CB 4.42Å; A636-E688 WeakPolarHBondContact CB-OE2 3.49Å |
| 637 | E | 81.1 | Confident | 80.4 | Confident | 71 Ų | 71 | 28.4 Ų | 28.4 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68 | -39.7 | 177.3 | -68 | -164.9 | 145.8 | 0 | 0 | 112 | R613 I633 P634 S641 | R613-E637 IonicContact NH2-OE1 3.86Å; I633-E637 HydrophobicContact CG2-CB 4.22Å; I633-E637 WeakPolarHBondContact CG2-OE2 3.48Å; P634-E637 PolarHBondContact O-N 2.89Å; E637-S641 PolarHBondContact O-N 2.8Å; E637-S641 PolarHBondContact O-OG 3.07Å |
| 638 | F | 84 | Confident | 80.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 171.2 | 170.4 | -107.5 | 0 | 0 | 0 | 111.4 | V612 V616 A624 E625 T628 S635 S641 V642 Y672 Y676 | V612-F638 HydrophobicContact CG1-CB 4.34Å; V612-F638 HydrophobicContact CG1-CD2 4.19Å; V616-F638 HydrophobicContact CG2-CD2 3.97Å; V616-F638 HydrophobicContact CG2-CE2 3.94Å; A624-F638 HydrophobicContact CB-CD2 4.06Å; A624-F638 HydrophobicContact CB-CE2 3.86Å; E625-F638 HydrophobicContact CB-CE2 4.39Å; E625-F638 HydrophobicContact CB-CZ 4.09Å; T628-F638 HydrophobicContact CG2-CB 3.98Å; S635-F638 PolarHBondContact O-N 2.96Å; F638-S641 WeakPolarHBondContact CA-OG 3.09Å; F638-S641 PolarHBondContact O-N 3.36Å; F638-S641 PolarHBondContact O-OG 3.14Å; F638-V642 HydrophobicContact CD2-CG2 4.21Å; F638-V642 HydrophobicContact CE1-CG2 4.16Å; F638-V642 HydrophobicContact CE2-CG2 3.79Å; F638-V642 HydrophobicContact CZ-CG2 3.76Å; F638-V642 WeakPolarHBondContact O-CB 3.4Å; F638-V642 VanDerWaalsContact O-CG2 3.26Å; F638-V642 WeakPolarHBondContact O-CG2 3.49Å; F638-V642 PolarHBondContact O-N 3.32Å; F638-Y672 AromaticContact CE1-CD1 3.65Å; F638-Y672 HydrophobicContact CE1-CD1 3.65Å; F638-Y672 HydrophobicContact CE1-CD2 4.22Å; F638-Y672 AromaticContact CE1-CE1 3.86Å; F638-Y672 HydrophobicContact CE1-CE1 3.86Å; F638-Y672 HydrophobicContact CE1-CE2 4.4Å; F638-Y672 AromaticContact CE1-CG 3.85Å; F638-Y672 HydrophobicContact CE1-CG 3.85Å; F638-Y672 AromaticContact CZ-CD1 4Å; F638-Y672 HydrophobicContact CZ-CD1 4Å; F638-Y672 HydrophobicContact CZ-CD2 4.21Å; F638-Y672 AromaticContact CZ-CE1 3.74Å; F638-Y672 HydrophobicContact CZ-CE1 3.74Å; F638-Y672 AromaticContact CZ-CE2 3.95Å; F638-Y672 HydrophobicContact CZ-CE2 3.95Å; F638-Y672 HydrophobicContact CZ-CG 4.23Å; F638-Y672 AromaticContact CZ-CZ 3.73Å; F638-Y676 HydrophobicContact CD1-CE2 4.26Å; F638-Y676 HydrophobicContact CE1-CE2 4.25Å |
| 639 | L | 85.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.1 | -34.2 | -179.8 | -71.6 | 171.1 | 0 | 0 | 0 | 112.9 | S635 A636 V642 A643 L669 Y672 L673 Y676 I685 V689 | S635-L639 WeakPolarHBondContact O-CB 3.12Å; S635-L639 VanDerWaalsContact O-CG 3.26Å; S635-L639 WeakPolarHBondContact O-CG 3.33Å; S635-L639 PolarHBondContact O-N 3.31Å; A636-L639 PolarHBondContact O-N 3.38Å; L639-V642 PolarHBondContact O-N 3.06Å; L639-A643 VanDerWaalsContact O-CB 3.26Å; L639-A643 WeakPolarHBondContact O-CB 3.34Å; L639-A643 PolarHBondContact O-N 3.04Å; L639-L669 HydrophobicContact CD2-CD1 4.45Å; L639-Y672 VanDerWaalsContact CD2-CB 3.43Å; L639-Y672 HydrophobicContact CD2-CG 4.49Å; L639-L673 HydrophobicContact CD1-CD2 4.19Å; L639-Y676 HydrophobicContact CD1-CD2 3.87Å; L639-Y676 HydrophobicContact CD1-CE2 4.44Å; L639-Y676 HydrophobicContact CD1-CG 4.36Å; L639-Y676 HydrophobicContact CD2-CD2 4.07Å; L639-Y676 HydrophobicContact CD2-CE2 4.28Å; L639-Y676 HydrophobicContact CG-CD2 4.27Å; L639-Y676 HydrophobicContact CG-CE2 4.45Å; L639-I685 HydrophobicContact CB-CG2 4.46Å; L639-I685 HydrophobicContact CD1-CD1 4.31Å; L639-I685 HydrophobicContact CD1-CG2 3.35Å; L639-V689 HydrophobicContact CB-CG2 4.07Å |
| 640 | C | 84.5 | Confident | 79.2 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 10% | 0.101 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -44.5 | 172.4 | -74.1 | 0 | 0 | 0 | 0 | 111.1 | A636 V642 A643 L644 | A636-C640 VanDerWaalsContact O-CB 3.24Å; A636-C640 WeakPolarHBondContact O-CB 3.5Å; A636-C640 PolarHBondContact O-N 3.18Å; A636-C640 PolarHBondContact O-SG 3.45Å; C640-V642 PolarHBondContact O-N 2.72Å; C640-A643 PolarHBondContact O-N 3.16Å; C640-L644 WeakPolarHBondContact O-CB 3.39Å; C640-L644 WeakPolarHBondContact O-CG 3.36Å; C640-L644 PolarHBondContact O-N 2.82Å |
| 641 | S | 83.5 | Confident | 78.5 | Confident | 11 Ų | 11 | 44 Ų | 44 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.5 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | V616 E637 F638 L644 F645 | V616-S641 WeakPolarHBondContact CG1-O 3.25Å; E637-S641 PolarHBondContact O-N 2.8Å; E637-S641 PolarHBondContact O-OG 3.07Å; F638-S641 WeakPolarHBondContact CA-OG 3.09Å; F638-S641 PolarHBondContact O-N 3.36Å; F638-S641 PolarHBondContact O-OG 3.14Å; S641-L644 PolarHBondContact O-N 3.5Å; S641-F645 VanDerWaalsContact O-CB 3.3Å; S641-F645 WeakPolarHBondContact O-CB 3.49Å; S641-F645 PolarHBondContact O-N 2.83Å |
| 642 | V | 85.2 | Confident | 77.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 172.6 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | V616 F638 L639 C640 F645 E646 L668 L669 Y672 | V616-V642 HydrophobicContact CG1-CG2 4.06Å; V616-V642 HydrophobicContact CG2-CG2 4.35Å; F638-V642 HydrophobicContact CD2-CG2 4.21Å; F638-V642 HydrophobicContact CE1-CG2 4.16Å; F638-V642 HydrophobicContact CE2-CG2 3.79Å; F638-V642 HydrophobicContact CZ-CG2 3.76Å; F638-V642 WeakPolarHBondContact O-CB 3.4Å; F638-V642 VanDerWaalsContact O-CG2 3.26Å; F638-V642 WeakPolarHBondContact O-CG2 3.49Å; F638-V642 PolarHBondContact O-N 3.32Å; L639-V642 PolarHBondContact O-N 3.06Å; C640-V642 PolarHBondContact O-N 2.72Å; V642-F645 PolarHBondContact O-N 2.96Å; V642-E646 PolarHBondContact O-N 3.34Å; V642-L668 HydrophobicContact CG1-CD2 3.84Å; V642-L668 HydrophobicContact CG1-CG 4.14Å; V642-L669 HydrophobicContact CG1-CB 4.27Å; V642-L669 HydrophobicContact CG1-CD1 4.09Å; V642-Y672 HydrophobicContact CG1-CD2 4.09Å; V642-Y672 HydrophobicContact CG2-CD2 4.35Å; V642-Y672 HydrophobicContact CG2-CE2 4.49Å |
| 643 | A | 82.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L639 C640 F645 E646 A647 L669 V689 L693 | L639-A643 VanDerWaalsContact O-CB 3.26Å; L639-A643 WeakPolarHBondContact O-CB 3.34Å; L639-A643 PolarHBondContact O-N 3.04Å; C640-A643 PolarHBondContact O-N 3.16Å; A643-F645 VanDerWaalsContact C-N 3.34Å; A643-E646 PolarHBondContact O-N 3.35Å; A643-A647 VanDerWaalsContact O-CB 3.22Å; A643-A647 WeakPolarHBondContact O-CB 3.24Å; A643-A647 PolarHBondContact O-N 3.26Å; A643-L669 HydrophobicContact CB-CD1 3.85Å; A643-L669 HydrophobicContact CB-CD2 3.8Å; A643-L669 HydrophobicContact CB-CG 4.43Å; A643-V689 HydrophobicContact CB-CG1 3.68Å; A643-L693 HydrophobicContact CB-CD1 4.41Å; A643-L693 HydrophobicContact CB-CD2 4.2Å; A643-L693 HydrophobicContact CB-CG 4.3Å |
| 644 | L | 83.1 | Confident | 75.8 | Confident | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -37.3 | 174.5 | -70.4 | 170.8 | 0 | 0 | 0 | 111.7 | C640 S641 A647 R648 H696 | C640-L644 WeakPolarHBondContact O-CB 3.39Å; C640-L644 WeakPolarHBondContact O-CG 3.36Å; C640-L644 PolarHBondContact O-N 2.82Å; S641-L644 PolarHBondContact O-N 3.5Å; L644-A647 PolarHBondContact O-N 2.87Å; L644-R648 WeakPolarHBondContact O-CB 2.85Å; L644-R648 VanDerWaalsContact O-CG 3.24Å; L644-R648 WeakPolarHBondContact O-CG 3.31Å; L644-R648 PolarHBondContact O-N 2.84Å; L644-H696 HydrophobicContact CD2-CB 3.68Å |
| 645 | F | 83.1 | Confident | 74.6 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 11% | 0.114 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 174.2 | 178.4 | -99.8 | 0 | 0 | 0 | 112 | V616 H621 S641 V642 A643 A647 R648 R649 L668 | V616-F645 HydrophobicContact CG1-CB 3.93Å; V616-F645 HydrophobicContact CG1-CG 4.37Å; V616-F645 WeakPolarHBondContact O-CD2 3.48Å; H621-F645 AromaticContact CE1-CD1 3.65Å; H621-F645 AromaticContact CE1-CE1 3.55Å; H621-F645 AromaticContact NE2-CE1 3.56Å; S641-F645 VanDerWaalsContact O-CB 3.3Å; S641-F645 WeakPolarHBondContact O-CB 3.49Å; S641-F645 PolarHBondContact O-N 2.83Å; V642-F645 PolarHBondContact O-N 2.96Å; A643-F645 VanDerWaalsContact C-N 3.34Å; F645-A647 VanDerWaalsContact C-N 3.3Å; F645-A647 PolarHBondContact O-N 2.98Å; F645-R648 PolarHBondContact O-N 3.05Å; F645-R649 PolarHBondContact O-N 2.9Å; F645-L668 HydrophobicContact CD1-CD2 4.24Å; F645-L668 HydrophobicContact CE1-CD2 4.47Å |
| 646 | E | 80 | Confident | 73.1 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.7 | -31.8 | 175 | -74.9 | -149.5 | 131.4 | 0 | 0 | 112.6 | V642 A643 R649 S650 W666 P667 L668 L669 | V642-E646 PolarHBondContact O-N 3.34Å; A643-E646 PolarHBondContact O-N 3.35Å; E646-R649 PolarHBondContact O-N 3.32Å; E646-S650 PolarHBondContact O-N 2.98Å; E646-S650 VanDerWaalsContact O-N 3.09Å; E646-W666 HydrophobicContact CB-CD2 4.32Å; E646-W666 HydrophobicContact CB-CG 4.32Å; E646-W666 WeakPolarHBondContact OE2-CA 3.26Å; E646-W666 WeakPolarHBondContact OE2-CB 3.27Å; E646-P667 VanDerWaalsContact OE1-CD 3.22Å; E646-P667 WeakPolarHBondContact OE1-CD 3.47Å; E646-L668 VanDerWaalsContact CD-CB 3.43Å; E646-L668 HydrophobicContact CG-CB 3.96Å; E646-L668 HydrophobicContact CG-CD2 4.43Å; E646-L668 WeakPolarHBondContact OE1-CB 3.37Å; E646-L668 PolarHBondContact OE1-N 2.91Å; E646-L668 PolarHBondContact OE2-N 3.4Å; E646-L669 WeakPolarHBondContact OE2-CB 3.28Å; E646-L669 PolarHBondContact OE2-N 3.49Å |
| 647 | A | 75.5 | Confident | 71.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.5 | -50.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | A643 L644 F645 R649 S650 W666 L693 W698 | A643-A647 VanDerWaalsContact O-CB 3.22Å; A643-A647 WeakPolarHBondContact O-CB 3.24Å; A643-A647 PolarHBondContact O-N 3.26Å; L644-A647 PolarHBondContact O-N 2.87Å; F645-A647 VanDerWaalsContact C-N 3.3Å; F645-A647 PolarHBondContact O-N 2.98Å; A647-R649 PolarHBondContact O-N 3.41Å; A647-S650 WeakPolarHBondContact O-CA 3.49Å; A647-S650 VanDerWaalsContact O-CB 3.31Å; A647-S650 WeakPolarHBondContact O-CB 3.46Å; A647-S650 PolarHBondContact O-N 3.41Å; A647-S650 PolarHBondContact O-OG 2.82Å; A647-W666 HydrophobicContact CB-CH2 3.93Å; A647-W666 HydrophobicContact CB-CZ2 4.17Å; A647-L693 HydrophobicContact CB-CD2 3.82Å; A647-W698 HydrophobicContact CB-CB 4.24Å; A647-W698 HydrophobicContact CB-CD2 3.67Å; A647-W698 HydrophobicContact CB-CE3 3.85Å; A647-W698 HydrophobicContact CB-CG 3.8Å; A647-W698 HydrophobicContact CB-CZ3 4.45Å; A647-W698 WeakPolarHBondContact O-CH2 3.11Å; A647-W698 WeakPolarHBondContact O-CZ3 3.38Å |
| 648 | R | 75.7 | Confident | 69.6 | Low | 136 Ų | 136 | 57.7 Ų | 57.7 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.9 | -32 | 175.1 | -72.4 | 170.6 | -176.1 | 176 | -2 | 112.7 | D617 L644 F645 S650 W698 | D617-R648 VanDerWaalsContact CG-NH1 3.26Å; D617-R648 IonicContact OD1-NH1 3.56Å; D617-R648 PolarHBondContact OD1-NH1 3.25Å; D617-R648 IonicContact OD2-NH1 3.44Å; D617-R648 PolarHBondContact OD2-NH1 3.01Å; L644-R648 WeakPolarHBondContact O-CB 2.85Å; L644-R648 VanDerWaalsContact O-CG 3.24Å; L644-R648 WeakPolarHBondContact O-CG 3.31Å; L644-R648 PolarHBondContact O-N 2.84Å; F645-R648 PolarHBondContact O-N 3.05Å; R648-S650 VanDerWaalsContact C-N 3.34Å; R648-W698 HydrophobicContact CG-CZ2 4.36Å |
| 649 | R | 73.9 | Confident | 68 | Low | 198 Ų | 198 | 62.5 Ų | 62.5 | 75% | 0.747 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -76.3 | -19.6 | 173.8 | -117.6 | -178 | 167.8 | 175.9 | 0.1 | 113.7 | F645 E646 A647 | F645-R649 PolarHBondContact O-N 2.9Å; E646-R649 PolarHBondContact O-N 3.32Å; A647-R649 PolarHBondContact O-N 3.41Å |
| 650 | S | 65 | Low | 66.4 | Low | 26 Ų | 26 | 65.9 Ų | 65.9 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -79.4 | 139.5 | 179.3 | 84 | 0 | 0 | 0 | 0 | 110.5 | E646 A647 R648 Y652 | E646-S650 PolarHBondContact O-N 2.98Å; E646-S650 VanDerWaalsContact O-N 3.09Å; A647-S650 WeakPolarHBondContact O-CA 3.49Å; A647-S650 VanDerWaalsContact O-CB 3.31Å; A647-S650 WeakPolarHBondContact O-CB 3.46Å; A647-S650 PolarHBondContact O-N 3.41Å; A647-S650 PolarHBondContact O-OG 2.82Å; R648-S650 VanDerWaalsContact C-N 3.34Å; S650-Y652 PolarHBondContact O-N 2.77Å |
| 651 | K | 59.8 | Low | 64.7 | Low | 141 Ų | 141 | 67.1 Ų | 67.1 | 61% | 0.613 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -65.7 | -6.9 | -174.2 | -74.3 | -168.9 | 172 | -116.8 | 0 | 115.2 | E1030 | K651-E1030 VanDerWaalsContact NZ-CG 3.28Å; K651-E1030 IonicContact NZ-OE1 2.76Å; K651-E1030 PolarHBondContact NZ-OE1 2.98Å |
| 652 | Y | 55.7 | Low | 63 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 43% | 0.431 | 41% | 0.405 | S | S | . | . | trans | -98.5 | 99.6 | -172.5 | -60.9 | -72.8 | 0 | 0 | 0 | 110.7 | S650 P661 W698 | S650-Y652 PolarHBondContact O-N 2.77Å; Y652-P661 HydrophobicContact CE2-CB 4.41Å; Y652-P661 HydrophobicContact CE2-CG 3.99Å; Y652-W698 VanDerWaalsContact O-CE3 3.26Å; Y652-W698 WeakPolarHBondContact O-CZ3 3.23Å | ||
| 653 | G | 55.5 | Low | 61.4 | Low | 46 Ų | 46 | 81.3 Ų | 81.3 | 47% | 0.474 | 43% | 0.434 | S | S | . | . | trans | -58 | 164.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E655 | G653-E655 PolarHBondContact O-N 3.2Š| ||
| 654 | P | 57.9 | Low | 60.2 | Low | 57 Ų | 57 | 82.9 Ų | 82.9 | 37% | 0.37 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.7 | -174.9 | 22.6 | -33.1 | 0 | 0 | 0 | 115.2 | G697 | P654-G697 CarbonylContact C-O 3.6Å; P654-G697 WeakPolarHBondContact CA-O 3.45Å |
| 655 | E | 54.4 | Low | 59.1 | Low | 196 Ų | 196 | 90.5 Ų | 90.5 | 92% | 0.916 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 24.6 | -170.2 | -64.1 | -157.7 | 160.5 | 0 | 0 | 117.3 | G653 | G653-E655 PolarHBondContact O-N 3.2Š|
| 656 | G | 47.3 | Very low | 58.8 | Low | 72 Ų | 72 | 90.1 Ų | 90.1 | 74% | 0.742 | 48% | 0.475 | S | S | * | . | trans | 104.3 | 79.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 657 | G | 44.7 | Very low | 58.8 | Low | 43 Ų | 43 | 93.3 Ų | 93.3 | 44% | 0.443 | 50% | 0.498 | S | S | . | . | trans | -99.4 | 159.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T659 | G657-T659 PolarHBondContact O-N 2.81Š| ||
| 658 | P | 46 | Very low | 59 | Low | 97 Ų | 97 | 95.2 Ų | 95.2 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | trans | -63.7 | 128.5 | -155.2 | 24.8 | -34 | 0 | 0 | 0 | 114.3 | F660 | P658-F660 PolarHBondContact O-N 3.4Š| ||
| 659 | T | 49.6 | Very low | 59.4 | Low | 101 Ų | 101 | 88.8 Ų | 88.8 | 62% | 0.62 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 8.8 | 101.4 | 147.1 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | G657 | G657-T659 PolarHBondContact O-N 2.81Š|
| 660 | F | 51.8 | Low | 59.7 | Low | 71 Ų | 71 | 85.3 Ų | 85.3 | 31% | 0.311 | 47% | 0.471 | S | S | . | . | trans | 55.5 | 71.5 | 161.3 | -57.4 | -56.6 | 0 | 0 | 0 | 116 | P658 R662 M702 F705 | P658-F660 PolarHBondContact O-N 3.4Å; F660-R662 PolarHBondContact O-N 2.74Å; F660-M702 HydrophobicContact CB-CE 4.36Å; F660-M702 HydrophobicContact CB-CG 3.51Å; F660-M702 HydrophobicContact CB-SD 3.69Å; F660-M702 HydrophobicContact CD1-CE 4.36Å; F660-M702 HydrophobicContact CD1-CG 3.53Å; F660-M702 HydrophobicContact CD1-SD 2.95Å; F660-M702 WeakPolarHBondContact CD1-SD 3.39Å; F660-M702 HydrophobicContact CD2-SD 4.34Å; F660-M702 HydrophobicContact CE1-SD 3.5Å; F660-M702 WeakPolarHBondContact CE1-SD 3.38Å; F660-M702 HydrophobicContact CG-CE 4.34Å; F660-M702 HydrophobicContact CG-CG 3.87Å; F660-M702 HydrophobicContact CG-SD 3.41Å; F660-M702 WeakPolarHBondContact CG-SD 3.48Å; F660-M702 HydrophobicContact CZ-SD 4.39Å; F660-F705 AromaticContact CE1-CD1 3.63Å; F660-F705 HydrophobicContact CE1-CD1 3.63Å; F660-F705 HydrophobicContact CE1-CD2 4.25Å; F660-F705 AromaticContact CE1-CE1 3.76Å; F660-F705 HydrophobicContact CE1-CE1 3.76Å; F660-F705 HydrophobicContact CE1-CE2 4.35Å; F660-F705 AromaticContact CE1-CG 3.89Å; F660-F705 HydrophobicContact CE1-CG 3.89Å; F660-F705 HydrophobicContact CE1-CZ 4.12Å; F660-F705 AromaticContact CZ-CD1 3.97Å; F660-F705 HydrophobicContact CZ-CD1 3.97Å; F660-F705 AromaticContact CZ-CE1 3.61Å; F660-F705 HydrophobicContact CZ-CE1 3.61Å; F660-F705 HydrophobicContact CZ-CE2 4.48Å; F660-F705 AromaticContact CZ-CZ 3.89Å; F660-F705 HydrophobicContact CZ-CZ 3.89Å | ||
| 661 | P | 48 | Very low | 60.7 | Low | 41 Ų | 41 | 89 Ų | 89 | 27% | 0.266 | 49% | 0.485 | S | S | . | . | trans | -65.1 | 110.9 | 169.6 | 26.9 | -30.6 | 0 | 0 | 0 | 108.5 | Y652 G663 | Y652-P661 HydrophobicContact CE2-CB 4.41Å; Y652-P661 HydrophobicContact CE2-CG 3.99Å; P661-G663 PolarHBondContact O-N 3.42Å | ||
| 662 | R | 48.1 | Very low | 61.7 | Low | 248 Ų | 248 | 83 Ų | 83 | 94% | 0.936 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 22.4 | 177.6 | -82.4 | -175.6 | 169.2 | -179.9 | -1.8 | 114.7 | F660 | F660-R662 PolarHBondContact O-N 2.74Š|
| 663 | G | 52.3 | Low | 62.9 | Low | 60 Ų | 60 | 78 Ų | 78 | 62% | 0.619 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.8 | -3.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | P661 K665 | P661-G663 PolarHBondContact O-N 3.42Å; G663-K665 PolarHBondContact O-N 3.18Å |
| 664 | S | 56 | Low | 64.1 | Low | 33 Ų | 33 | 80.3 Ų | 80.3 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | trans | -72.3 | 98.9 | 177.3 | 46.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 665 | K | 61.3 | Low | 65.2 | Low | 178 Ų | 178 | 84.5 Ų | 84.5 | 77% | 0.774 | 45% | 0.449 | S | S | * | . | trans | -84.6 | 112.6 | 168.2 | -62.9 | -179.3 | -177.8 | 179.1 | 0 | 106.6 | G663 P667 | G663-K665 PolarHBondContact O-N 3.18Å; K665-P667 VanDerWaalsContact C-CD 3.41Å; K665-P667 WeakPolarHBondContact O-CD 3.17Å | ||
| 666 | W | 77.3 | Confident | 66.3 | Low | 18 Ų | 18 | 76.6 Ų | 76.6 | 7% | 0.068 | 41% | 0.411 | C | S | . | . | trans | -96.1 | 79.2 | 169.7 | -81.6 | 9.2 | 0 | 0 | 0 | 107.1 | E646 A647 L669 R670 L693 P701 W703 | E646-W666 HydrophobicContact CB-CD2 4.32Å; E646-W666 HydrophobicContact CB-CG 4.32Å; E646-W666 WeakPolarHBondContact OE2-CA 3.26Å; E646-W666 WeakPolarHBondContact OE2-CB 3.27Å; A647-W666 HydrophobicContact CB-CH2 3.93Å; A647-W666 HydrophobicContact CB-CZ2 4.17Å; W666-L669 HydrophobicContact CE3-CD2 3.79Å; W666-L669 HydrophobicContact CZ3-CD2 4.3Å; W666-R670 WeakPolarHBondContact O-CB 3.44Å; W666-R670 PolarHBondContact O-N 3.03Å; W666-L693 HydrophobicContact CH2-CD1 4.22Å; W666-L693 HydrophobicContact CH2-CD2 3.84Å; W666-L693 HydrophobicContact CZ3-CD1 3.72Å; W666-L693 HydrophobicContact CZ3-CD2 3.86Å; W666-L693 HydrophobicContact CZ3-CG 4.47Å; W666-P701 HydrophobicContact CB-CG 4.41Å; W666-P701 HydrophobicContact CD2-CG 3.29Å; W666-P701 HydrophobicContact CE3-CG 3.19Å; W666-P701 HydrophobicContact CG-CG 3.88Å; W666-P701 HydrophobicContact CH2-CG 3.89Å; W666-P701 HydrophobicContact CZ2-CG 4Å; W666-P701 HydrophobicContact CZ3-CG 3.52Å; W666-W703 HydrophobicContact CB-CZ2 4.41Å | ||
| 667 | P | 78.5 | Confident | 67.3 | Low | 87 Ų | 87 | 76 Ų | 76 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.8 | -32.9 | -165.8 | 30.5 | -38.1 | 0 | 0 | 0 | 113.3 | E646 K665 R670 H671 | E646-P667 VanDerWaalsContact OE1-CD 3.22Å; E646-P667 WeakPolarHBondContact OE1-CD 3.47Å; K665-P667 VanDerWaalsContact C-CD 3.41Å; K665-P667 WeakPolarHBondContact O-CD 3.17Å; P667-R670 PolarHBondContact O-N 3.31Å; P667-H671 VanDerWaalsContact O-CB 3.32Å; P667-H671 WeakPolarHBondContact O-CB 3.34Å; P667-H671 PolarHBondContact O-N 3.11Å |
| 668 | L | 81.4 | Confident | 68.5 | Low | 41 Ų | 41 | 81.3 Ų | 81.3 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -70.2 | -48.5 | -178.7 | -168.9 | 80.7 | 0 | 0 | 0 | 109.5 | H621 V642 F645 E646 R670 H671 Y672 | H621-L668 WeakPolarHBondContact NE2-CD2 3.37Å; V642-L668 HydrophobicContact CG1-CD2 3.84Å; V642-L668 HydrophobicContact CG1-CG 4.14Å; F645-L668 HydrophobicContact CD1-CD2 4.24Å; F645-L668 HydrophobicContact CE1-CD2 4.47Å; E646-L668 VanDerWaalsContact CD-CB 3.43Å; E646-L668 HydrophobicContact CG-CB 3.96Å; E646-L668 HydrophobicContact CG-CD2 4.43Å; E646-L668 WeakPolarHBondContact OE1-CB 3.37Å; E646-L668 PolarHBondContact OE1-N 2.91Å; E646-L668 PolarHBondContact OE2-N 3.4Å; L668-R670 VanDerWaalsContact C-N 3.28Å; L668-R670 PolarHBondContact O-N 2.85Å; L668-H671 WeakPolarHBondContact O-CB 3.17Å; L668-H671 PolarHBondContact O-N 3.14Å; L668-H671 VanDerWaalsContact O-N 3.13Å; L668-Y672 HydrophobicContact CD1-CD2 4.44Å; L668-Y672 HydrophobicContact CD1-CE2 3.8Å; L668-Y672 HydrophobicContact CD2-CE2 4.36Å; L668-Y672 HydrophobicContact CG-CD2 4Å; L668-Y672 HydrophobicContact CG-CE2 3.75Å; L668-Y672 VanDerWaalsContact O-CD2 3.27Å; L668-Y672 WeakPolarHBondContact O-CD2 3.46Å; L668-Y672 PolarHBondContact O-N 2.81Å |
| 669 | L | 83.1 | Confident | 69.5 | Low | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 175.4 | -175.5 | 65.8 | 0 | 0 | 0 | 110.4 | L639 V642 A643 E646 W666 H671 Y672 L673 V689 I704 | L639-L669 HydrophobicContact CD2-CD1 4.45Å; V642-L669 HydrophobicContact CG1-CB 4.27Å; V642-L669 HydrophobicContact CG1-CD1 4.09Å; A643-L669 HydrophobicContact CB-CD1 3.85Å; A643-L669 HydrophobicContact CB-CD2 3.8Å; A643-L669 HydrophobicContact CB-CG 4.43Å; E646-L669 WeakPolarHBondContact OE2-CB 3.28Å; E646-L669 PolarHBondContact OE2-N 3.49Å; W666-L669 HydrophobicContact CE3-CD2 3.79Å; W666-L669 HydrophobicContact CZ3-CD2 4.3Å; L669-H671 VanDerWaalsContact C-N 3.35Å; L669-H671 PolarHBondContact O-N 3Å; L669-Y672 PolarHBondContact O-N 3.32Å; L669-L673 HydrophobicContact CD1-CD1 4.11Å; L669-L673 HydrophobicContact CD1-CG 4.2Å; L669-L673 HydrophobicContact CD2-CD1 4.22Å; L669-L673 HydrophobicContact CG-CD1 3.72Å; L669-L673 HydrophobicContact CG-CG 4.24Å; L669-L673 VanDerWaalsContact O-CB 3.24Å; L669-L673 WeakPolarHBondContact O-CB 3.3Å; L669-L673 VanDerWaalsContact O-CG 3.27Å; L669-L673 WeakPolarHBondContact O-CG 3.5Å; L669-L673 PolarHBondContact O-N 2.91Å; L669-V689 HydrophobicContact CD2-CG1 4.21Å; L669-I704 HydrophobicContact CD2-CD1 3.79Å |
| 670 | R | 81.2 | Confident | 70.6 | Confident | 126 Ų | 126 | 80.9 Ų | 80.9 | 48% | 0.475 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.2 | -34.3 | 175.2 | -168.5 | 170.9 | -176.7 | 174.3 | 1 | 112.9 | W666 P667 L668 N674 W703 | W666-R670 WeakPolarHBondContact O-CB 3.44Å; W666-R670 PolarHBondContact O-N 3.03Å; P667-R670 PolarHBondContact O-N 3.31Å; L668-R670 VanDerWaalsContact C-N 3.28Å; L668-R670 PolarHBondContact O-N 2.85Å; R670-N674 WeakPolarHBondContact O-CB 3.45Å; R670-N674 PolarHBondContact O-N 3.08Å; R670-N674 PolarHBondContact O-ND2 3.11Å; R670-N674 PolarHBondContact O-OD1 2.8Å; R670-W703 HydrophobicContact CB-CH2 4.05Å; R670-W703 HydrophobicContact CB-CZ2 4.11Å; R670-W703 HydrophobicContact CG-CH2 4.21Å |
| 671 | H | 84.4 | Confident | 71.4 | Confident | 104 Ų | 104 | 83.3 Ų | 83.3 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.4 | -49.4 | 175.4 | 178.4 | 73.7 | 0 | 0 | 0 | 111 | P667 L668 L669 N674 R675 | P667-H671 VanDerWaalsContact O-CB 3.32Å; P667-H671 WeakPolarHBondContact O-CB 3.34Å; P667-H671 PolarHBondContact O-N 3.11Å; L668-H671 WeakPolarHBondContact O-CB 3.17Å; L668-H671 PolarHBondContact O-N 3.14Å; L668-H671 VanDerWaalsContact O-N 3.13Å; L669-H671 VanDerWaalsContact C-N 3.35Å; L669-H671 PolarHBondContact O-N 3Å; H671-N674 PolarHBondContact O-N 2.87Å; H671-R675 WeakPolarHBondContact O-CB 3.39Å; H671-R675 PolarHBondContact O-N 2.69Å |
| 672 | Y | 82.1 | Confident | 72.5 | Confident | 13 Ų | 13 | 83.5 Ų | 83.5 | 5% | 0.051 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -69.4 | -42 | 178.9 | -70.4 | -68.1 | 0 | 0 | 0 | 112.1 | H621 F638 L639 V642 L668 L669 N674 R675 Y676 | H621-Y672 HydrophobicContact CB-CE2 4.17Å; H621-Y672 WeakPolarHBondContact CB-OH 3.41Å; F638-Y672 AromaticContact CE1-CD1 3.65Å; F638-Y672 HydrophobicContact CE1-CD1 3.65Å; F638-Y672 HydrophobicContact CE1-CD2 4.22Å; F638-Y672 AromaticContact CE1-CE1 3.86Å; F638-Y672 HydrophobicContact CE1-CE1 3.86Å; F638-Y672 HydrophobicContact CE1-CE2 4.4Å; F638-Y672 AromaticContact CE1-CG 3.85Å; F638-Y672 HydrophobicContact CE1-CG 3.85Å; F638-Y672 AromaticContact CZ-CD1 4Å; F638-Y672 HydrophobicContact CZ-CD1 4Å; F638-Y672 HydrophobicContact CZ-CD2 4.21Å; F638-Y672 AromaticContact CZ-CE1 3.74Å; F638-Y672 HydrophobicContact CZ-CE1 3.74Å; F638-Y672 AromaticContact CZ-CE2 3.95Å; F638-Y672 HydrophobicContact CZ-CE2 3.95Å; F638-Y672 HydrophobicContact CZ-CG 4.23Å; F638-Y672 AromaticContact CZ-CZ 3.73Å; L639-Y672 VanDerWaalsContact CD2-CB 3.43Å; L639-Y672 HydrophobicContact CD2-CG 4.49Å; V642-Y672 HydrophobicContact CG1-CD2 4.09Å; V642-Y672 HydrophobicContact CG2-CD2 4.35Å; V642-Y672 HydrophobicContact CG2-CE2 4.49Å; L668-Y672 HydrophobicContact CD1-CD2 4.44Å; L668-Y672 HydrophobicContact CD1-CE2 3.8Å; L668-Y672 HydrophobicContact CD2-CE2 4.36Å; L668-Y672 HydrophobicContact CG-CD2 4Å; L668-Y672 HydrophobicContact CG-CE2 3.75Å; L668-Y672 VanDerWaalsContact O-CD2 3.27Å; L668-Y672 WeakPolarHBondContact O-CD2 3.46Å; L668-Y672 PolarHBondContact O-N 2.81Å; L669-Y672 PolarHBondContact O-N 3.32Å; Y672-N674 VanDerWaalsContact C-N 3.26Å; Y672-N674 PolarHBondContact O-N 3.18Å; Y672-R675 WeakPolarHBondContact O-CA 3.37Å; Y672-R675 WeakPolarHBondContact O-CB 3.44Å; Y672-R675 PolarHBondContact O-N 2.77Å; Y672-Y676 HydrophobicContact CD1-CE2 4.38Å; Y672-Y676 WeakPolarHBondContact O-CD2 3.49Å; Y672-Y676 PolarHBondContact O-N 3.09Å |
| 673 | L | 81.4 | Confident | 73.6 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 4% | 0.037 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.7 | -34.3 | 173 | -74.3 | 170.2 | 0 | 0 | 0 | 112.5 | L639 L669 Y676 S677 I685 Y686 W703 I704 | L639-L673 HydrophobicContact CD1-CD2 4.19Å; L669-L673 HydrophobicContact CD1-CD1 4.11Å; L669-L673 HydrophobicContact CD1-CG 4.2Å; L669-L673 HydrophobicContact CD2-CD1 4.22Å; L669-L673 HydrophobicContact CG-CD1 3.72Å; L669-L673 HydrophobicContact CG-CG 4.24Å; L669-L673 VanDerWaalsContact O-CB 3.24Å; L669-L673 WeakPolarHBondContact O-CB 3.3Å; L669-L673 VanDerWaalsContact O-CG 3.27Å; L669-L673 WeakPolarHBondContact O-CG 3.5Å; L669-L673 PolarHBondContact O-N 2.91Å; L673-Y676 CarbonylContact O-C 3.54Å; L673-S677 WeakPolarHBondContact O-CB 3.33Å; L673-S677 PolarHBondContact O-N 3.15Å; L673-S677 VanDerWaalsContact O-N 3.11Å; L673-I685 HydrophobicContact CD2-CG2 3.84Å; L673-Y686 HydrophobicContact CD1-CD1 4.48Å; L673-Y686 HydrophobicContact CD1-CE1 3.79Å; L673-Y686 HydrophobicContact CD2-CE1 4.23Å; L673-W703 HydrophobicContact CD1-CH2 3.97Å; L673-W703 HydrophobicContact CD1-CZ3 4.5Å; L673-I704 HydrophobicContact CD1-CD1 4.3Å |
| 674 | N | 80.5 | Confident | 74.8 | Confident | 94 Ų | 94 | 74.2 Ų | 74.2 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.9 | -33.7 | 171.9 | -77 | -6.7 | 0 | 0 | 0 | 112.3 | R670 H671 Y672 S677 | R670-N674 WeakPolarHBondContact O-CB 3.45Å; R670-N674 PolarHBondContact O-N 3.08Å; R670-N674 PolarHBondContact O-ND2 3.11Å; R670-N674 PolarHBondContact O-OD1 2.8Å; H671-N674 PolarHBondContact O-N 2.87Å; Y672-N674 VanDerWaalsContact C-N 3.26Å; Y672-N674 PolarHBondContact O-N 3.18Å; N674-S677 WeakPolarHBondContact O-CB 3.49Å; N674-S677 PolarHBondContact O-N 3.29Å; N674-S677 PolarHBondContact O-OG 2.97Å |
| 675 | R | 80 | Confident | 75.9 | Confident | 145 Ų | 145 | 72.8 Ų | 72.8 | 55% | 0.547 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.3 | -36.3 | 178.2 | -171.5 | 172.7 | 177.6 | 156.8 | -10.7 | 112.1 | E625 H671 Y672 S677 | E625-R675 IonicContact OE1-CZ 3.48Å; E625-R675 IonicContact OE1-NE 2.66Å; E625-R675 PolarHBondContact OE1-NE 2.87Å; E625-R675 VanDerWaalsContact OE1-NE 3.16Å; E625-R675 IonicContact OE1-NH1 2.68Å; E625-R675 IonicContact OE1-NH2 3.75Å; E625-R675 PolarHBondContact OE1-NH2 2.85Å; E625-R675 VanDerWaalsContact OE1-NH2 3.13Å; E625-R675 IonicContact OE2-CZ 2.88Å; E625-R675 IonicContact OE2-NH1 3.87Å; E625-R675 IonicContact OE2-NH2 3.67Å; H671-R675 WeakPolarHBondContact O-CB 3.39Å; H671-R675 PolarHBondContact O-N 2.69Å; Y672-R675 WeakPolarHBondContact O-CA 3.37Å; Y672-R675 WeakPolarHBondContact O-CB 3.44Å; Y672-R675 PolarHBondContact O-N 2.77Å; R675-S677 VanDerWaalsContact C-N 3.26Å |
| 676 | Y | 77.3 | Confident | 76.7 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 11% | 0.114 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 14.2 | 170.1 | -62.4 | -76.2 | 0 | 0 | 0 | 112.1 | F638 L639 Y672 L673 D678 D679 I682 | F638-Y676 HydrophobicContact CD1-CE2 4.26Å; F638-Y676 HydrophobicContact CE1-CE2 4.25Å; L639-Y676 HydrophobicContact CD1-CD2 3.87Å; L639-Y676 HydrophobicContact CD1-CE2 4.44Å; L639-Y676 HydrophobicContact CD1-CG 4.36Å; L639-Y676 HydrophobicContact CD2-CD2 4.07Å; L639-Y676 HydrophobicContact CD2-CE2 4.28Å; L639-Y676 HydrophobicContact CG-CD2 4.27Å; L639-Y676 HydrophobicContact CG-CE2 4.45Å; Y672-Y676 HydrophobicContact CD1-CE2 4.38Å; Y672-Y676 WeakPolarHBondContact O-CD2 3.49Å; Y672-Y676 PolarHBondContact O-N 3.09Å; L673-Y676 CarbonylContact O-C 3.54Å; Y676-D678 PolarHBondContact O-N 3.43Å; Y676-D678 VanDerWaalsContact O-N 3.17Å; Y676-D679 WeakPolarHBondContact O-CB 2.98Å; Y676-D679 PolarHBondContact O-N 3.19Å; Y676-I682 VanDerWaalsContact O-CD1 3.24Å; Y676-I682 WeakPolarHBondContact O-CD1 3.12Å; Y676-I682 WeakPolarHBondContact O-CG1 3.39Å |
| 677 | S | 68.7 | Low | 76.9 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -5.3 | -176.8 | 69.2 | 0 | 0 | 0 | 0 | 115.1 | L673 N674 R675 I682 | L673-S677 WeakPolarHBondContact O-CB 3.33Å; L673-S677 PolarHBondContact O-N 3.15Å; L673-S677 VanDerWaalsContact O-N 3.11Å; N674-S677 WeakPolarHBondContact O-CB 3.49Å; N674-S677 PolarHBondContact O-N 3.29Å; N674-S677 PolarHBondContact O-OG 2.97Å; R675-S677 VanDerWaalsContact C-N 3.26Å; S677-I682 WeakPolarHBondContact O-CD1 3.47Å |
| 678 | D | 69.9 | Low | 77.1 | Confident | 155 Ų | 155 | 69.7 Ų | 69.7 | 83% | 0.829 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -4 | 171.8 | -63.5 | -38.9 | 0 | 0 | 0 | 112.8 | Y676 | Y676-D678 PolarHBondContact O-N 3.43Å; Y676-D678 VanDerWaalsContact O-N 3.17Å |
| 679 | D | 67.2 | Low | 77.1 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 34% | 0.342 | 34% | 0.344 | S | S | . | . | trans | -71.7 | 131.1 | 179.5 | -113.4 | -27 | 0 | 0 | 0 | 110.7 | Y676 E681 I682 | Y676-D679 WeakPolarHBondContact O-CB 2.98Å; Y676-D679 PolarHBondContact O-N 3.19Å; D679-E681 PolarHBondContact O-N 3.4Å; D679-I682 HydrophobicContact CB-CG1 4.43Å; D679-I682 WeakPolarHBondContact O-CD1 3.28Å; D679-I682 WeakPolarHBondContact O-CG1 3.41Å; D679-I682 PolarHBondContact O-N 3.36Å; D679-I682 VanDerWaalsContact O-N 3.16Å | ||
| 680 | P | 72.1 | Confident | 77 | Confident | 124 Ų | 124 | 67.8 Ų | 67.8 | 81% | 0.805 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -16 | -179.8 | 24.3 | -32.5 | 0 | 0 | 0 | 113.3 | ||
| 681 | E | 69.2 | Low | 77.1 | Confident | 123 Ų | 123 | 65.9 Ų | 65.9 | 58% | 0.575 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 10.8 | -177.9 | -67.4 | -171 | -174.6 | 0 | 0 | 113.8 | D679 G683 T684 I685 | D679-E681 PolarHBondContact O-N 3.4Å; E681-G683 PolarHBondContact O-N 3.16Å; E681-T684 WeakPolarHBondContact CB-OG1 3.34Å; E681-T684 PolarHBondContact O-N 3.45Å; E681-T684 PolarHBondContact O-OG1 2.99Å; E681-I685 WeakPolarHBondContact O-CG1 3.17Å; E681-I685 PolarHBondContact O-N 3.3Å |
| 682 | I | 71.2 | Confident | 77 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -50.2 | -39 | 177.5 | -80.9 | 156.4 | 0 | 0 | 0 | 114 | Y676 S677 D679 T684 I685 Y686 | Y676-I682 VanDerWaalsContact O-CD1 3.24Å; Y676-I682 WeakPolarHBondContact O-CD1 3.12Å; Y676-I682 WeakPolarHBondContact O-CG1 3.39Å; S677-I682 WeakPolarHBondContact O-CD1 3.47Å; D679-I682 HydrophobicContact CB-CG1 4.43Å; D679-I682 WeakPolarHBondContact O-CD1 3.28Å; D679-I682 WeakPolarHBondContact O-CG1 3.41Å; D679-I682 PolarHBondContact O-N 3.36Å; D679-I682 VanDerWaalsContact O-N 3.16Å; I682-T684 VanDerWaalsContact C-N 3.33Å; I682-T684 PolarHBondContact O-N 2.83Å; I682-I685 PolarHBondContact O-N 2.82Å; I682-Y686 HydrophobicContact CG2-CD2 3.47Å; I682-Y686 VanDerWaalsContact CG2-CD2 3.47Å; I682-Y686 HydrophobicContact CG2-CE2 3.36Å; I682-Y686 WeakPolarHBondContact O-CD2 3.37Å; I682-Y686 PolarHBondContact O-N 3.36Å |
| 683 | G | 70.9 | Confident | 76.9 | Confident | 43 Ų | 43 | 61 Ų | 61 | 44% | 0.443 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E681 R687 | E681-G683 PolarHBondContact O-N 3.16Å; G683-R687 WeakPolarHBondContact O-CG 3.3Å; G683-R687 PolarHBondContact O-N 2.96Å |
| 684 | T | 78 | Confident | 76.8 | Confident | 70 Ų | 70 | 61 Ų | 61 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.6 | -38.9 | 175.9 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | E681 I682 Y686 R687 E688 | E681-T684 WeakPolarHBondContact CB-OG1 3.34Å; E681-T684 PolarHBondContact O-N 3.45Å; E681-T684 PolarHBondContact O-OG1 2.99Å; I682-T684 VanDerWaalsContact C-N 3.33Å; I682-T684 PolarHBondContact O-N 2.83Å; T684-Y686 PolarHBondContact O-N 2.99Å; T684-R687 WeakPolarHBondContact O-CB 3.4Å; T684-R687 PolarHBondContact O-N 2.94Å; T684-R687 VanDerWaalsContact O-N 3.13Å; T684-E688 PolarHBondContact O-N 2.89Å |
| 685 | I | 77.5 | Confident | 76.8 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.9 | -48.3 | 173.3 | -66.4 | 170.1 | 0 | 0 | 0 | 110.9 | A636 L639 L673 E681 I682 R687 E688 V689 | A636-I685 HydrophobicContact CB-CG1 4.4Å; L639-I685 HydrophobicContact CB-CG2 4.46Å; L639-I685 HydrophobicContact CD1-CD1 4.31Å; L639-I685 HydrophobicContact CD1-CG2 3.35Å; L673-I685 HydrophobicContact CD2-CG2 3.84Å; E681-I685 WeakPolarHBondContact O-CG1 3.17Å; E681-I685 PolarHBondContact O-N 3.3Å; I682-I685 PolarHBondContact O-N 2.82Å; I685-R687 VanDerWaalsContact C-N 3.33Å; I685-R687 PolarHBondContact O-N 2.85Å; I685-E688 PolarHBondContact O-N 3.47Å; I685-V689 HydrophobicContact CG2-CG2 4.32Å; I685-V689 WeakPolarHBondContact O-CB 3.32Å; I685-V689 VanDerWaalsContact O-CG2 3.24Å; I685-V689 WeakPolarHBondContact O-CG2 3.3Å; I685-V689 PolarHBondContact O-N 2.86Å |
| 686 | Y | 78.6 | Confident | 76.6 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 176.9 | -82.5 | -67.8 | 0 | 0 | 0 | 112.4 | L673 I682 T684 I690 F708 | L673-Y686 HydrophobicContact CD1-CD1 4.48Å; L673-Y686 HydrophobicContact CD1-CE1 3.79Å; L673-Y686 HydrophobicContact CD2-CE1 4.23Å; I682-Y686 HydrophobicContact CG2-CD2 3.47Å; I682-Y686 VanDerWaalsContact CG2-CD2 3.47Å; I682-Y686 HydrophobicContact CG2-CE2 3.36Å; I682-Y686 WeakPolarHBondContact O-CD2 3.37Å; I682-Y686 PolarHBondContact O-N 3.36Å; T684-Y686 PolarHBondContact O-N 2.99Å; Y686-I690 WeakPolarHBondContact O-CB 3.45Å; Y686-I690 VanDerWaalsContact O-CG1 3.26Å; Y686-I690 WeakPolarHBondContact O-CG1 3.41Å; Y686-I690 PolarHBondContact O-N 3.35Å; Y686-F708 VanDerWaalsContact CB-CE2 3.48Å; Y686-F708 HydrophobicContact CG-CE2 4.45Å |
| 687 | R | 82.1 | Confident | 76.3 | Confident | 89 Ų | 89 | 58.4 Ų | 58.4 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 174.8 | -78.8 | -173.3 | -171.2 | -174.9 | 5.4 | 111.5 | G683 T684 I685 I690 K691 F708 D712 H715 F719 | G683-R687 WeakPolarHBondContact O-CG 3.3Å; G683-R687 PolarHBondContact O-N 2.96Å; T684-R687 WeakPolarHBondContact O-CB 3.4Å; T684-R687 PolarHBondContact O-N 2.94Å; T684-R687 VanDerWaalsContact O-N 3.13Å; I685-R687 VanDerWaalsContact C-N 3.33Å; I685-R687 PolarHBondContact O-N 2.85Å; R687-I690 PolarHBondContact O-N 3.44Å; R687-K691 WeakPolarHBondContact O-CB 3.42Å; R687-K691 PolarHBondContact O-N 2.96Å; R687-F708 HydrophobicContact CB-CZ 4.49Å; R687-F708 HydrophobicContact CG-CE1 4.25Å; R687-F708 HydrophobicContact CG-CE2 4.4Å; R687-F708 HydrophobicContact CG-CZ 3.51Å; R687-D712 IonicContact CZ-OD2 3.51Å; R687-D712 IonicContact NE-OD2 3.44Å; R687-D712 IonicContact NH2-OD2 2.77Å; R687-D712 PolarHBondContact NH2-OD2 3.34Å; R687-H715 VanDerWaalsContact CZ-CD2 3.49Å; R687-H715 VanDerWaalsContact CZ-CE1 3.44Å; R687-H715 PolarHBondContact NH1-CD2 3.5Å; R687-H715 VanDerWaalsContact NH1-CD2 3.35Å; R687-H715 PolarHBondContact NH1-CE1 3.16Å; R687-H715 PolarHBondContact NH1-NE2 3.38Å; R687-H715 PolarHBondContact NH2-CE1 2.99Å; R687-H715 PolarHBondContact NH2-ND1 3.13Å; R687-H715 VanDerWaalsContact NH2-ND1 3.17Å; R687-H715 PolarHBondContact NH2-NE2 3.43Å; R687-F719 HydrophobicContact CB-CE2 4.48Å; R687-F719 HydrophobicContact CB-CZ 4.5Å; R687-F719 HydrophobicContact CG-CE2 4.34Å |
| 688 | E | 81.7 | Confident | 76.6 | Confident | 99 Ų | 99 | 57.2 Ų | 57.2 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | -179.1 | -73.4 | -169.7 | -179.8 | 0 | 0 | 111.7 | A636 T684 I685 K691 S692 | A636-E688 HydrophobicContact CB-CB 4.42Å; A636-E688 WeakPolarHBondContact CB-OE2 3.49Å; T684-E688 PolarHBondContact O-N 2.89Å; I685-E688 PolarHBondContact O-N 3.47Å; E688-K691 PolarHBondContact O-N 3.46Å; E688-S692 WeakPolarHBondContact O-CB 3.45Å; E688-S692 PolarHBondContact O-N 3Å |
| 689 | V | 82.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L639 A643 L669 I685 L693 | L639-V689 HydrophobicContact CB-CG2 4.07Å; A643-V689 HydrophobicContact CB-CG1 3.68Å; L669-V689 HydrophobicContact CD2-CG1 4.21Å; I685-V689 HydrophobicContact CG2-CG2 4.32Å; I685-V689 WeakPolarHBondContact O-CB 3.32Å; I685-V689 VanDerWaalsContact O-CG2 3.24Å; I685-V689 WeakPolarHBondContact O-CG2 3.3Å; I685-V689 PolarHBondContact O-N 2.86Å; V689-L693 HydrophobicContact CG1-CD1 3.94Å; V689-L693 WeakPolarHBondContact O-CB 3.4Å; V689-L693 WeakPolarHBondContact O-CD1 3.36Å; V689-L693 WeakPolarHBondContact O-CG 3.31Å; V689-L693 PolarHBondContact O-N 2.94Å |
| 690 | I | 80.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 177.8 | -69.9 | 170.5 | 0 | 0 | 0 | 110.9 | Y686 R687 L693 L694 P700 I704 F708 F719 | Y686-I690 WeakPolarHBondContact O-CB 3.45Å; Y686-I690 VanDerWaalsContact O-CG1 3.26Å; Y686-I690 WeakPolarHBondContact O-CG1 3.41Å; Y686-I690 PolarHBondContact O-N 3.35Å; R687-I690 PolarHBondContact O-N 3.44Å; I690-L693 PolarHBondContact O-N 3.33Å; I690-L694 HydrophobicContact CG2-CD1 3.68Å; I690-L694 HydrophobicContact CG2-CG 4.31Å; I690-L694 WeakPolarHBondContact O-CB 3.47Å; I690-L694 VanDerWaalsContact O-CG 3.29Å; I690-L694 WeakPolarHBondContact O-CG 3.37Å; I690-L694 PolarHBondContact O-N 3.47Å; I690-P700 HydrophobicContact CG1-CB 4.43Å; I690-P700 HydrophobicContact CG2-CG 4.47Å; I690-I704 HydrophobicContact CD1-CG2 3.68Å; I690-I704 HydrophobicContact CG1-CG2 3.7Å; I690-F708 HydrophobicContact CD1-CB 3.69Å; I690-F708 HydrophobicContact CD1-CD1 3.74Å; I690-F708 HydrophobicContact CD1-CD2 3.39Å; I690-F708 HydrophobicContact CD1-CE1 4.26Å; I690-F708 HydrophobicContact CD1-CE2 3.98Å; I690-F708 HydrophobicContact CD1-CG 3.27Å; I690-F708 HydrophobicContact CD1-CZ 4.39Å; I690-F719 HydrophobicContact CG2-CD2 4.19Å |
| 691 | K | 83 | Confident | 76.8 | Confident | 86 Ų | 86 | 44.1 Ų | 44.1 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 177.6 | -168.5 | -172.2 | -176.8 | -144.6 | 0 | 110.8 | R687 E688 L693 L694 E695 F719 F723 | R687-K691 WeakPolarHBondContact O-CB 3.42Å; R687-K691 PolarHBondContact O-N 2.96Å; E688-K691 PolarHBondContact O-N 3.46Å; K691-L693 PolarHBondContact O-N 3.03Å; K691-L694 PolarHBondContact O-N 3.09Å; K691-E695 WeakPolarHBondContact CE-OE1 3.34Å; K691-E695 HydrophobicContact CG-CG 4.39Å; K691-E695 IonicContact NZ-OE1 2.88Å; K691-E695 PolarHBondContact NZ-OE1 3.47Å; K691-E695 WeakPolarHBondContact O-CB 3.49Å; K691-E695 VanDerWaalsContact O-CG 3.31Å; K691-E695 WeakPolarHBondContact O-CG 3.42Å; K691-E695 PolarHBondContact O-N 3.15Å; K691-F719 HydrophobicContact CB-CZ 4.45Å; K691-F719 HydrophobicContact CD-CE1 4.44Å; K691-F719 HydrophobicContact CG-CE1 4.34Å; K691-F723 HydrophobicContact CG-CE2 4.2Å; K691-F723 HydrophobicContact CG-CZ 4.07Å |
| 692 | S | 83.2 | Confident | 76.9 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 178 | -174 | 0 | 0 | 0 | 0 | 112.2 | E688 H696 | E688-S692 WeakPolarHBondContact O-CB 3.45Å; E688-S692 PolarHBondContact O-N 3Å; S692-H696 PolarHBondContact O-N 3.26Å; S692-H696 PolarHBondContact O-ND1 3.4Å |
| 693 | L | 80.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 174 | -74.5 | 166.9 | 0 | 0 | 0 | 111.4 | A643 A647 W666 V689 I690 K691 H696 G697 W698 P700 | A643-L693 HydrophobicContact CB-CD1 4.41Å; A643-L693 HydrophobicContact CB-CD2 4.2Å; A643-L693 HydrophobicContact CB-CG 4.3Å; A647-L693 HydrophobicContact CB-CD2 3.82Å; W666-L693 HydrophobicContact CH2-CD1 4.22Å; W666-L693 HydrophobicContact CH2-CD2 3.84Å; W666-L693 HydrophobicContact CZ3-CD1 3.72Å; W666-L693 HydrophobicContact CZ3-CD2 3.86Å; W666-L693 HydrophobicContact CZ3-CG 4.47Å; V689-L693 HydrophobicContact CG1-CD1 3.94Å; V689-L693 WeakPolarHBondContact O-CB 3.4Å; V689-L693 WeakPolarHBondContact O-CD1 3.36Å; V689-L693 WeakPolarHBondContact O-CG 3.31Å; V689-L693 PolarHBondContact O-N 2.94Å; I690-L693 PolarHBondContact O-N 3.33Å; K691-L693 PolarHBondContact O-N 3.03Å; L693-H696 CarbonylContact O-C 3.58Å; L693-H696 PolarHBondContact O-N 2.93Å; L693-G697 PolarHBondContact O-N 2.87Å; L693-W698 CarbonylContact C-O 3.29Å; L693-W698 VanDerWaalsContact C-O 3.31Å; L693-W698 HydrophobicContact CB-CB 4.39Å; L693-W698 HydrophobicContact CD2-CB 4.07Å; L693-W698 WeakPolarHBondContact O-CA 3.29Å; L693-W698 WeakPolarHBondContact O-CB 3.4Å; L693-W698 PolarHBondContact O-N 3.2Å; L693-P700 HydrophobicContact CD1-CB 4.3Å |
| 694 | L | 78.9 | Confident | 77.7 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | -179.3 | -68 | 170.6 | 0 | 0 | 0 | 112.7 | I690 K691 H696 G697 F719 F723 | I690-L694 HydrophobicContact CG2-CD1 3.68Å; I690-L694 HydrophobicContact CG2-CG 4.31Å; I690-L694 WeakPolarHBondContact O-CB 3.47Å; I690-L694 VanDerWaalsContact O-CG 3.29Å; I690-L694 WeakPolarHBondContact O-CG 3.37Å; I690-L694 PolarHBondContact O-N 3.47Å; K691-L694 PolarHBondContact O-N 3.09Å; L694-H696 VanDerWaalsContact C-N 3.27Å; L694-H696 PolarHBondContact O-N 3.13Å; L694-G697 PolarHBondContact O-N 2.84Å; L694-F719 HydrophobicContact CD1-CB 3.66Å; L694-F723 HydrophobicContact CB-CB 4.28Å; L694-F723 HydrophobicContact CB-CD1 4.39Å; L694-F723 HydrophobicContact CB-CD2 3.35Å; L694-F723 HydrophobicContact CB-CE2 3.76Å; L694-F723 HydrophobicContact CB-CG 3.74Å; L694-F723 HydrophobicContact CB-CZ 4.45Å; L694-F723 HydrophobicContact CD1-CD2 3.89Å; L694-F723 HydrophobicContact CD1-CE2 4.39Å; L694-F723 HydrophobicContact CG-CD2 4.21Å |
| 695 | E | 80.3 | Confident | 77.7 | Confident | 103 Ų | 103 | 35.5 Ų | 35.5 | 48% | 0.481 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.9 | -37.7 | 173 | -80.5 | 175.1 | 179.8 | 0 | 0 | 111.8 | K691 G697 F723 | K691-E695 WeakPolarHBondContact CE-OE1 3.34Å; K691-E695 HydrophobicContact CG-CG 4.39Å; K691-E695 IonicContact NZ-OE1 2.88Å; K691-E695 PolarHBondContact NZ-OE1 3.47Å; K691-E695 WeakPolarHBondContact O-CB 3.49Å; K691-E695 VanDerWaalsContact O-CG 3.31Å; K691-E695 WeakPolarHBondContact O-CG 3.42Å; K691-E695 PolarHBondContact O-N 3.15Å; E695-G697 VanDerWaalsContact C-N 3.26Å; E695-G697 PolarHBondContact O-N 2.93Å; E695-F723 HydrophobicContact CB-CE1 4.11Å; E695-F723 HydrophobicContact CB-CZ 4.38Å; E695-F723 HydrophobicContact CG-CE1 3.36Å; E695-F723 HydrophobicContact CG-CZ 3.37Å |
| 696 | H | 75.7 | Confident | 77.7 | Confident | 89 Ų | 89 | 38 Ų | 38 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 10.6 | 176.4 | -67.7 | 80.5 | 0 | 0 | 0 | 113.2 | L644 S692 L693 L694 W698 | L644-H696 HydrophobicContact CD2-CB 3.68Å; S692-H696 PolarHBondContact O-N 3.26Å; S692-H696 PolarHBondContact O-ND1 3.4Å; L693-H696 CarbonylContact O-C 3.58Å; L693-H696 PolarHBondContact O-N 2.93Å; L694-H696 VanDerWaalsContact C-N 3.27Å; L694-H696 PolarHBondContact O-N 3.13Å; H696-W698 VanDerWaalsContact C-N 3.32Å; H696-W698 PolarHBondContact O-N 2.87Å; H696-W698 PolarHBondContact O-NE1 2.95Å |
| 697 | G | 71.6 | Confident | 77.6 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 5.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P654 L693 L694 E695 R725 | P654-G697 CarbonylContact C-O 3.6Å; P654-G697 WeakPolarHBondContact CA-O 3.45Å; L693-G697 PolarHBondContact O-N 2.87Å; L694-G697 PolarHBondContact O-N 2.84Å; E695-G697 VanDerWaalsContact C-N 3.26Å; E695-G697 PolarHBondContact O-N 2.93Å; G697-R725 PolarHBondContact O-NH2 3.02Å |
| 698 | W | 74 | Confident | 77.3 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 132.1 | -179.1 | -59.2 | 89.7 | 0 | 0 | 0 | 111.7 | A647 R648 Y652 L693 H696 | A647-W698 HydrophobicContact CB-CB 4.24Å; A647-W698 HydrophobicContact CB-CD2 3.67Å; A647-W698 HydrophobicContact CB-CE3 3.85Å; A647-W698 HydrophobicContact CB-CG 3.8Å; A647-W698 HydrophobicContact CB-CZ3 4.45Å; A647-W698 WeakPolarHBondContact O-CH2 3.11Å; A647-W698 WeakPolarHBondContact O-CZ3 3.38Å; R648-W698 HydrophobicContact CG-CZ2 4.36Å; Y652-W698 VanDerWaalsContact O-CE3 3.26Å; Y652-W698 WeakPolarHBondContact O-CZ3 3.23Å; L693-W698 CarbonylContact C-O 3.29Å; L693-W698 VanDerWaalsContact C-O 3.31Å; L693-W698 HydrophobicContact CB-CB 4.39Å; L693-W698 HydrophobicContact CD2-CB 4.07Å; L693-W698 WeakPolarHBondContact O-CA 3.29Å; L693-W698 WeakPolarHBondContact O-CB 3.4Å; L693-W698 PolarHBondContact O-N 3.2Å; H696-W698 VanDerWaalsContact C-N 3.32Å; H696-W698 PolarHBondContact O-N 2.87Å; H696-W698 PolarHBondContact O-NE1 2.95Å |
| 699 | S | 69.3 | Low | 77 | Confident | 57 Ų | 57 | 34.5 Ų | 34.5 | 40% | 0.399 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -78.3 | 130.6 | 171.9 | 56.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 700 | P | 73.1 | Confident | 76.5 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 149.2 | 178 | 26.6 | -34.6 | 0 | 0 | 0 | 112.1 | I690 L693 I704 F705 | I690-P700 HydrophobicContact CG1-CB 4.43Å; I690-P700 HydrophobicContact CG2-CG 4.47Å; L693-P700 HydrophobicContact CD1-CB 4.3Å; P700-I704 HydrophobicContact CB-CB 4.49Å; P700-I704 HydrophobicContact CB-CG2 4.04Å; P700-F705 HydrophobicContact CG-CD2 4.03Å |
| 701 | P | 70.8 | Confident | 76.1 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 149.7 | 179.1 | -23 | 32.1 | 0 | 0 | 0 | 112.2 | W666 W703 I704 F705 | W666-P701 HydrophobicContact CB-CG 4.41Å; W666-P701 HydrophobicContact CD2-CG 3.29Å; W666-P701 HydrophobicContact CE3-CG 3.19Å; W666-P701 HydrophobicContact CG-CG 3.88Å; W666-P701 HydrophobicContact CH2-CG 3.89Å; W666-P701 HydrophobicContact CZ2-CG 4Å; W666-P701 HydrophobicContact CZ3-CG 3.52Å; P701-W703 HydrophobicContact CB-CG 4.38Å; P701-W703 VanDerWaalsContact CB-NE1 3.34Å; P701-W703 PolarHBondContact O-N 3.44Å; P701-I704 HydrophobicContact CG-CD1 4.38Å; P701-I704 WeakPolarHBondContact O-CA 3.25Å; P701-I704 PolarHBondContact O-N 3.03Å; P701-F705 PolarHBondContact O-N 2.98Å |
| 702 | M | 71.4 | Confident | 75.7 | Confident | 34 Ų | 34 | 44.6 Ų | 44.6 | 17% | 0.167 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.3 | -33.7 | -179.9 | -98.4 | -59.6 | -87.9 | 0 | 0 | 114.5 | F660 D706 | F660-M702 HydrophobicContact CB-CE 4.36Å; F660-M702 HydrophobicContact CB-CG 3.51Å; F660-M702 HydrophobicContact CB-SD 3.69Å; F660-M702 HydrophobicContact CD1-CE 4.36Å; F660-M702 HydrophobicContact CD1-CG 3.53Å; F660-M702 HydrophobicContact CD1-SD 2.95Å; F660-M702 WeakPolarHBondContact CD1-SD 3.39Å; F660-M702 HydrophobicContact CD2-SD 4.34Å; F660-M702 HydrophobicContact CE1-SD 3.5Å; F660-M702 WeakPolarHBondContact CE1-SD 3.38Å; F660-M702 HydrophobicContact CG-CE 4.34Å; F660-M702 HydrophobicContact CG-CG 3.87Å; F660-M702 HydrophobicContact CG-SD 3.41Å; F660-M702 WeakPolarHBondContact CG-SD 3.48Å; F660-M702 HydrophobicContact CZ-SD 4.39Å; M702-D706 WeakPolarHBondContact CE-OD1 3.14Å; M702-D706 VanDerWaalsContact CE-OD2 3.3Å; M702-D706 WeakPolarHBondContact CE-OD2 3.16Å; M702-D706 WeakPolarHBondContact O-CA 3.46Å; M702-D706 WeakPolarHBondContact O-CB 3.39Å; M702-D706 VanDerWaalsContact O-CG 3.28Å; M702-D706 PolarHBondContact O-N 3.47Å |
| 703 | W | 80.9 | Confident | 75.4 | Confident | 60 Ų | 60 | 44.4 Ų | 44.4 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.8 | -31.7 | 178.9 | 65.3 | -91.6 | 0 | 0 | 0 | 112.6 | W666 R670 L673 P701 H707 | W666-W703 HydrophobicContact CB-CZ2 4.41Å; R670-W703 HydrophobicContact CB-CH2 4.05Å; R670-W703 HydrophobicContact CB-CZ2 4.11Å; R670-W703 HydrophobicContact CG-CH2 4.21Å; L673-W703 HydrophobicContact CD1-CH2 3.97Å; L673-W703 HydrophobicContact CD1-CZ3 4.5Å; P701-W703 HydrophobicContact CB-CG 4.38Å; P701-W703 VanDerWaalsContact CB-NE1 3.34Å; P701-W703 PolarHBondContact O-N 3.44Å; W703-H707 WeakPolarHBondContact O-CB 3.5Å; W703-H707 PolarHBondContact O-N 3.45Å; W703-H707 VanDerWaalsContact O-N 3.17Å |
| 704 | I | 78.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.4 | -47.4 | 169.7 | -73.3 | -176.9 | 0 | 0 | 0 | 108.7 | L669 L673 I690 P700 P701 H707 F708 | L669-I704 HydrophobicContact CD2-CD1 3.79Å; L673-I704 HydrophobicContact CD1-CD1 4.3Å; I690-I704 HydrophobicContact CD1-CG2 3.68Å; I690-I704 HydrophobicContact CG1-CG2 3.7Å; P700-I704 HydrophobicContact CB-CB 4.49Å; P700-I704 HydrophobicContact CB-CG2 4.04Å; P701-I704 HydrophobicContact CG-CD1 4.38Å; P701-I704 WeakPolarHBondContact O-CA 3.25Å; P701-I704 PolarHBondContact O-N 3.03Å; I704-H707 WeakPolarHBondContact O-CB 3.06Å; I704-H707 PolarHBondContact O-N 3.47Å; I704-F708 WeakPolarHBondContact O-CB 3.44Å; I704-F708 PolarHBondContact O-N 3Å |
| 705 | F | 77 | Confident | 75.5 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | -179.8 | -167.5 | -86.5 | 0 | 0 | 0 | 111.9 | F660 P700 P701 H707 F708 R709 L716 L720 L732 | F660-F705 AromaticContact CE1-CD1 3.63Å; F660-F705 HydrophobicContact CE1-CD1 3.63Å; F660-F705 HydrophobicContact CE1-CD2 4.25Å; F660-F705 AromaticContact CE1-CE1 3.76Å; F660-F705 HydrophobicContact CE1-CE1 3.76Å; F660-F705 HydrophobicContact CE1-CE2 4.35Å; F660-F705 AromaticContact CE1-CG 3.89Å; F660-F705 HydrophobicContact CE1-CG 3.89Å; F660-F705 HydrophobicContact CE1-CZ 4.12Å; F660-F705 AromaticContact CZ-CD1 3.97Å; F660-F705 HydrophobicContact CZ-CD1 3.97Å; F660-F705 AromaticContact CZ-CE1 3.61Å; F660-F705 HydrophobicContact CZ-CE1 3.61Å; F660-F705 HydrophobicContact CZ-CE2 4.48Å; F660-F705 AromaticContact CZ-CZ 3.89Å; F660-F705 HydrophobicContact CZ-CZ 3.89Å; P700-F705 HydrophobicContact CG-CD2 4.03Å; P701-F705 PolarHBondContact O-N 2.98Å; F705-H707 VanDerWaalsContact C-N 3.32Å; F705-H707 PolarHBondContact O-N 3.18Å; F705-F708 PolarHBondContact O-N 3.45Å; F705-R709 HydrophobicContact CD1-CB 4.44Å; F705-R709 WeakPolarHBondContact O-CA 3.26Å; F705-R709 WeakPolarHBondContact O-CB 3.37Å; F705-R709 PolarHBondContact O-N 3.17Å; F705-L716 HydrophobicContact CD1-CD2 4.34Å; F705-L716 HydrophobicContact CD2-CD1 4Å; F705-L716 HydrophobicContact CD2-CD2 4.11Å; F705-L716 HydrophobicContact CE1-CD2 4.01Å; F705-L716 HydrophobicContact CE2-CD1 3.82Å; F705-L716 HydrophobicContact CE2-CD2 3.79Å; F705-L716 HydrophobicContact CE2-CG 4.03Å; F705-L716 HydrophobicContact CG-CD2 4.4Å; F705-L716 HydrophobicContact CZ-CD2 3.73Å; F705-L716 HydrophobicContact CZ-CG 4.28Å; F705-L720 HydrophobicContact CE2-CD1 4.01Å; F705-L720 HydrophobicContact CE2-CD2 4.32Å; F705-L720 HydrophobicContact CZ-CD1 4Å; F705-L732 HydrophobicContact CE1-CD1 4.29Å; F705-L732 HydrophobicContact CZ-CD1 4.19Å |
| 706 | D | 77 | Confident | 75.5 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.9 | -31.3 | 176.5 | -80.7 | -21.5 | 0 | 0 | 0 | 112.3 | M702 R709 K710 | M702-D706 WeakPolarHBondContact CE-OD1 3.14Å; M702-D706 VanDerWaalsContact CE-OD2 3.3Å; M702-D706 WeakPolarHBondContact CE-OD2 3.16Å; M702-D706 WeakPolarHBondContact O-CA 3.46Å; M702-D706 WeakPolarHBondContact O-CB 3.39Å; M702-D706 VanDerWaalsContact O-CG 3.28Å; M702-D706 PolarHBondContact O-N 3.47Å; D706-R709 IonicContact OD1-NH1 2.69Å; D706-K710 VanDerWaalsContact O-CG 3.29Å; D706-K710 WeakPolarHBondContact O-CG 3.48Å; D706-K710 PolarHBondContact O-N 3.03Å |
| 707 | H | 77.9 | Confident | 75.8 | Confident | 90 Ų | 90 | 42.5 Ų | 42.5 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.3 | -49.3 | 172 | -166.8 | 64.4 | 0 | 0 | 0 | 109.7 | W703 I704 F705 K710 V711 | W703-H707 WeakPolarHBondContact O-CB 3.5Å; W703-H707 PolarHBondContact O-N 3.45Å; W703-H707 VanDerWaalsContact O-N 3.17Å; I704-H707 WeakPolarHBondContact O-CB 3.06Å; I704-H707 PolarHBondContact O-N 3.47Å; F705-H707 VanDerWaalsContact C-N 3.32Å; F705-H707 PolarHBondContact O-N 3.18Å; H707-K710 PolarHBondContact O-N 3.19Å; H707-V711 WeakPolarHBondContact O-CB 3.38Å; H707-V711 WeakPolarHBondContact O-CG2 3.43Å; H707-V711 PolarHBondContact O-N 2.83Å |
| 708 | F | 75.6 | Confident | 76.4 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.7 | -36.2 | -178.6 | -134.3 | -100.2 | 0 | 0 | 0 | 113.3 | Y686 R687 I690 I704 F705 K710 V711 D712 H715 L716 | Y686-F708 VanDerWaalsContact CB-CE2 3.48Å; Y686-F708 HydrophobicContact CG-CE2 4.45Å; R687-F708 HydrophobicContact CB-CZ 4.49Å; R687-F708 HydrophobicContact CG-CE1 4.25Å; R687-F708 HydrophobicContact CG-CE2 4.4Å; R687-F708 HydrophobicContact CG-CZ 3.51Å; I690-F708 HydrophobicContact CD1-CB 3.69Å; I690-F708 HydrophobicContact CD1-CD1 3.74Å; I690-F708 HydrophobicContact CD1-CD2 3.39Å; I690-F708 HydrophobicContact CD1-CE1 4.26Å; I690-F708 HydrophobicContact CD1-CE2 3.98Å; I690-F708 HydrophobicContact CD1-CG 3.27Å; I690-F708 HydrophobicContact CD1-CZ 4.39Å; I704-F708 WeakPolarHBondContact O-CB 3.44Å; I704-F708 PolarHBondContact O-N 3Å; F705-F708 PolarHBondContact O-N 3.45Å; F708-K710 PolarHBondContact O-N 2.81Å; F708-V711 PolarHBondContact O-N 3.05Å; F708-D712 HydrophobicContact CD1-CB 4.46Å; F708-D712 HydrophobicContact CE1-CB 4.02Å; F708-D712 HydrophobicContact CZ-CB 4.34Å; F708-D712 CarbonylContact O-C 3.45Å; F708-D712 VanDerWaalsContact O-C 3.29Å; F708-D712 PolarHBondContact O-N 3.11Å; F708-H715 HydrophobicContact CE1-CB 4.35Å; F708-L716 HydrophobicContact CD1-CB 4.21Å; F708-L716 HydrophobicContact CD1-CD1 4.37Å |
| 709 | R | 75.5 | Confident | 76.9 | Confident | 49 Ų | 49 | 42.3 Ų | 42.3 | 19% | 0.185 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -28.1 | 173.4 | 174.1 | 178.4 | 175.7 | 177.2 | 7.2 | 112.5 | F705 D706 L716 L732 W735 | F705-R709 HydrophobicContact CD1-CB 4.44Å; F705-R709 WeakPolarHBondContact O-CA 3.26Å; F705-R709 WeakPolarHBondContact O-CB 3.37Å; F705-R709 PolarHBondContact O-N 3.17Å; D706-R709 IonicContact OD1-NH1 2.69Å; R709-L716 HydrophobicContact CB-CD2 3.87Å; R709-L732 HydrophobicContact CB-CD1 4.44Å; R709-L732 HydrophobicContact CG-CD1 3.98Å; R709-W735 HydrophobicContact CG-CD2 4.5Å; R709-W735 HydrophobicContact CG-CE3 3.96Å; R709-W735 HydrophobicContact CG-CH2 3.68Å; R709-W735 HydrophobicContact CG-CZ2 4.19Å; R709-W735 HydrophobicContact CG-CZ3 3.55Å; R709-W735 VanDerWaalsContact NE-CE2 3.26Å; R709-W735 VanDerWaalsContact NH2-CD2 3.33Å; R709-W735 VanDerWaalsContact NH2-NE1 3.11Å |
| 710 | K | 72.9 | Confident | 77.4 | Confident | 167 Ų | 167 | 39.7 Ų | 39.7 | 73% | 0.726 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -89.5 | -33.4 | 175.5 | -70.7 | 175.8 | -175.2 | 178.2 | 0 | 112.9 | D706 H707 F708 | D706-K710 VanDerWaalsContact O-CG 3.29Å; D706-K710 WeakPolarHBondContact O-CG 3.48Å; D706-K710 PolarHBondContact O-N 3.03Å; H707-K710 PolarHBondContact O-N 3.19Å; F708-K710 PolarHBondContact O-N 2.81Å |
| 711 | V | 71.4 | Confident | 77.9 | Confident | 99 Ų | 99 | 41.5 Ų | 41.5 | 60% | 0.6 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -85.3 | -45.9 | -175.6 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | H707 F708 | H707-V711 WeakPolarHBondContact O-CB 3.38Å; H707-V711 WeakPolarHBondContact O-CG2 3.43Å; H707-V711 PolarHBondContact O-N 2.83Å; F708-V711 PolarHBondContact O-N 3.05Å |
| 712 | D | 74.3 | Confident | 78.4 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | trans | -151.4 | 71.3 | -173.3 | -162.8 | -16.4 | 0 | 0 | 0 | 112.1 | R687 F708 Y714 H715 L716 | R687-D712 IonicContact CZ-OD2 3.51Å; R687-D712 IonicContact NE-OD2 3.44Å; R687-D712 IonicContact NH2-OD2 2.77Å; R687-D712 PolarHBondContact NH2-OD2 3.34Å; F708-D712 HydrophobicContact CD1-CB 4.46Å; F708-D712 HydrophobicContact CE1-CB 4.02Å; F708-D712 HydrophobicContact CZ-CB 4.34Å; F708-D712 CarbonylContact O-C 3.45Å; F708-D712 VanDerWaalsContact O-C 3.29Å; F708-D712 PolarHBondContact O-N 3.11Å; D712-Y714 PolarHBondContact O-N 3.07Å; D712-H715 VanDerWaalsContact CG-ND1 3.25Å; D712-H715 PolarHBondContact O-N 2.91Å; D712-H715 IonicContact OD1-CG 2.77Å; D712-H715 PolarHBondContact OD1-N 2.97Å; D712-H715 VanDerWaalsContact OD1-N 3.15Å; D712-H715 IonicContact OD1-ND1 3.86Å; D712-H715 PolarHBondContact OD1-ND1 3.26Å; D712-H715 IonicContact OD2-CE1 2.77Å; D712-H715 IonicContact OD2-CG 3.63Å; D712-H715 IonicContact OD2-ND1 2.75Å; D712-H715 PolarHBondContact OD2-ND1 3.43Å; D712-L716 PolarHBondContact O-N 3.24Å; D712-L716 VanDerWaalsContact O-N 3.16Å | ||
| 713 | A | 76.9 | Confident | 78.7 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -24.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L717 L732 I736 M756 | A713-L717 WeakPolarHBondContact O-CB 3.13Å; A713-L717 PolarHBondContact O-N 3.39Å; A713-L732 WeakPolarHBondContact O-CD2 3.39Å; A713-I736 HydrophobicContact CB-CD1 4.32Å; A713-M756 HydrophobicContact CB-CE 3.41Å; A713-M756 VanDerWaalsContact CB-CE 3.41Å |
| 714 | Y | 80.7 | Confident | 78.4 | Confident | 115 Ų | 115 | 47.7 Ų | 47.7 | 45% | 0.451 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.7 | -52.1 | 179.1 | 179.2 | -88.3 | 0 | 0 | 0 | 111.3 | D712 L716 L717 L718 P759 L762 | D712-Y714 PolarHBondContact O-N 3.07Å; Y714-L716 VanDerWaalsContact C-N 3.28Å; Y714-L716 PolarHBondContact O-N 3.45Å; Y714-L717 WeakPolarHBondContact O-CB 3.31Å; Y714-L717 PolarHBondContact O-N 3.2Å; Y714-L718 WeakPolarHBondContact O-CB 3.15Å; Y714-L718 PolarHBondContact O-N 3.4Å; Y714-P759 HydrophobicContact CD2-CB 3.69Å; Y714-P759 HydrophobicContact CD2-CG 4.1Å; Y714-P759 HydrophobicContact CE2-CB 3.55Å; Y714-P759 HydrophobicContact CE2-CG 4.36Å; Y714-L762 HydrophobicContact CD2-CD1 4.38Å; Y714-L762 HydrophobicContact CE2-CD1 3.68Å |
| 715 | H | 80.9 | Confident | 78.3 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 21% | 0.208 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.6 | -32.9 | 178.2 | -72.8 | 79 | 0 | 0 | 0 | 111.5 | R687 F708 D712 L718 F719 | R687-H715 VanDerWaalsContact CZ-CD2 3.49Å; R687-H715 VanDerWaalsContact CZ-CE1 3.44Å; R687-H715 PolarHBondContact NH1-CD2 3.5Å; R687-H715 VanDerWaalsContact NH1-CD2 3.35Å; R687-H715 PolarHBondContact NH1-CE1 3.16Å; R687-H715 PolarHBondContact NH1-NE2 3.38Å; R687-H715 PolarHBondContact NH2-CE1 2.99Å; R687-H715 PolarHBondContact NH2-ND1 3.13Å; R687-H715 VanDerWaalsContact NH2-ND1 3.17Å; R687-H715 PolarHBondContact NH2-NE2 3.43Å; F708-H715 HydrophobicContact CE1-CB 4.35Å; D712-H715 VanDerWaalsContact CG-ND1 3.25Å; D712-H715 PolarHBondContact O-N 2.91Å; D712-H715 IonicContact OD1-CG 2.77Å; D712-H715 PolarHBondContact OD1-N 2.97Å; D712-H715 VanDerWaalsContact OD1-N 3.15Å; D712-H715 IonicContact OD1-ND1 3.86Å; D712-H715 PolarHBondContact OD1-ND1 3.26Å; D712-H715 IonicContact OD2-CE1 2.77Å; D712-H715 IonicContact OD2-CG 3.63Å; D712-H715 IonicContact OD2-ND1 2.75Å; D712-H715 PolarHBondContact OD2-ND1 3.43Å; H715-L718 PolarHBondContact O-N 2.99Å; H715-F719 HydrophobicContact CB-CE2 4.13Å; H715-F719 HydrophobicContact CB-CZ 4.49Å; H715-F719 WeakPolarHBondContact O-CB 3.36Å; H715-F719 WeakPolarHBondContact O-CD2 3.31Å; H715-F719 WeakPolarHBondContact O-CG 3.46Å; H715-F719 PolarHBondContact O-N 3.4Å |
| 716 | L | 79.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 171.2 | -167.2 | 60.7 | 0 | 0 | 0 | 111.2 | F705 F708 R709 D712 Y714 L718 F719 L720 L732 | F705-L716 HydrophobicContact CD1-CD2 4.34Å; F705-L716 HydrophobicContact CD2-CD1 4Å; F705-L716 HydrophobicContact CD2-CD2 4.11Å; F705-L716 HydrophobicContact CE1-CD2 4.01Å; F705-L716 HydrophobicContact CE2-CD1 3.82Å; F705-L716 HydrophobicContact CE2-CD2 3.79Å; F705-L716 HydrophobicContact CE2-CG 4.03Å; F705-L716 HydrophobicContact CG-CD2 4.4Å; F705-L716 HydrophobicContact CZ-CD2 3.73Å; F705-L716 HydrophobicContact CZ-CG 4.28Å; F708-L716 HydrophobicContact CD1-CB 4.21Å; F708-L716 HydrophobicContact CD1-CD1 4.37Å; R709-L716 HydrophobicContact CB-CD2 3.87Å; D712-L716 PolarHBondContact O-N 3.24Å; D712-L716 VanDerWaalsContact O-N 3.16Å; Y714-L716 VanDerWaalsContact C-N 3.28Å; Y714-L716 PolarHBondContact O-N 3.45Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L716-L718 PolarHBondContact O-N 2.97Å; L716-F719 PolarHBondContact O-N 3.48Å; L716-L720 HydrophobicContact CG-CD1 4.08Å; L716-L720 WeakPolarHBondContact O-CB 3.3Å; L716-L720 WeakPolarHBondContact O-CG 3.32Å; L716-L720 PolarHBondContact O-N 3.44Å; L716-L732 HydrophobicContact CB-CD2 4.44Å; L716-L732 HydrophobicContact CD2-CD1 3.72Å; L716-L732 HydrophobicContact CG-CD1 4.38Å |
| 717 | L | 82.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.9 | -168 | 70.9 | 0 | 0 | 0 | 111.7 | A713 Y714 L720 F721 A729 L732 V733 P759 L762 | A713-L717 WeakPolarHBondContact O-CB 3.13Å; A713-L717 PolarHBondContact O-N 3.39Å; Y714-L717 WeakPolarHBondContact O-CB 3.31Å; Y714-L717 PolarHBondContact O-N 3.2Å; L717-L720 PolarHBondContact O-N 3.14Å; L717-F721 VanDerWaalsContact O-CB 3.32Å; L717-F721 WeakPolarHBondContact O-CB 3.29Å; L717-F721 PolarHBondContact O-N 3.16Å; L717-A729 HydrophobicContact CD1-CB 3.95Å; L717-A729 WeakPolarHBondContact CD1-O 3.33Å; L717-L732 HydrophobicContact CB-CD2 3.62Å; L717-L732 HydrophobicContact CD1-CB 4.16Å; L717-L732 HydrophobicContact CD1-CD2 3.72Å; L717-L732 HydrophobicContact CG-CD2 4.26Å; L717-V733 HydrophobicContact CD1-CG2 3.51Å; L717-V733 HydrophobicContact CD2-CG2 3.91Å; L717-V733 HydrophobicContact CG-CG2 4.38Å; L717-P759 HydrophobicContact CD2-CG 3.52Å; L717-L762 HydrophobicContact CD2-CB 4.21Å |
| 718 | L | 84.3 | Confident | 78.8 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 20% | 0.199 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 177.6 | -168.6 | 88.2 | 0 | 0 | 0 | 110.5 | Y714 H715 L716 F721 E722 L762 | Y714-L718 WeakPolarHBondContact O-CB 3.15Å; Y714-L718 PolarHBondContact O-N 3.4Å; H715-L718 PolarHBondContact O-N 2.99Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L716-L718 PolarHBondContact O-N 2.97Å; L718-F721 PolarHBondContact O-N 3.44Å; L718-E722 WeakPolarHBondContact O-CB 3.34Å; L718-E722 WeakPolarHBondContact O-CG 3.25Å; L718-E722 PolarHBondContact O-N 3.12Å; L718-L762 HydrophobicContact CD1-CD1 3.79Å; L718-L762 HydrophobicContact CD1-CD2 4.06Å; L718-L762 HydrophobicContact CD1-CG 4.35Å |
| 719 | F | 83.3 | Confident | 79.1 | Confident | 14 Ų | 14 | 51 Ų | 51 | 6% | 0.061 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 178.1 | -62.8 | -36 | 0 | 0 | 0 | 111.6 | R687 I690 K691 L694 H715 L716 F721 E722 F723 | R687-F719 HydrophobicContact CB-CE2 4.48Å; R687-F719 HydrophobicContact CB-CZ 4.5Å; R687-F719 HydrophobicContact CG-CE2 4.34Å; I690-F719 HydrophobicContact CG2-CD2 4.19Å; K691-F719 HydrophobicContact CB-CZ 4.45Å; K691-F719 HydrophobicContact CD-CE1 4.44Å; K691-F719 HydrophobicContact CG-CE1 4.34Å; L694-F719 HydrophobicContact CD1-CB 3.66Å; H715-F719 HydrophobicContact CB-CE2 4.13Å; H715-F719 HydrophobicContact CB-CZ 4.49Å; H715-F719 WeakPolarHBondContact O-CB 3.36Å; H715-F719 WeakPolarHBondContact O-CD2 3.31Å; H715-F719 WeakPolarHBondContact O-CG 3.46Å; H715-F719 PolarHBondContact O-N 3.4Å; L716-F719 PolarHBondContact O-N 3.48Å; F719-F721 VanDerWaalsContact C-N 3.26Å; F719-F721 PolarHBondContact O-N 3.3Å; F719-E722 PolarHBondContact O-N 2.88Å; F719-F723 HydrophobicContact CB-CD2 4.18Å; F719-F723 HydrophobicContact CB-CE2 4.27Å; F719-F723 HydrophobicContact CD1-CE2 4.33Å; F719-F723 WeakPolarHBondContact O-CB 3.42Å; F719-F723 WeakPolarHBondContact O-CD2 3.5Å; F719-F723 PolarHBondContact O-N 3.28Å |
| 720 | L | 80.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -35.5 | 176.5 | -69.1 | 172.2 | 0 | 0 | 0 | 112.2 | F705 L716 L717 G724 R725 E728 A729 | F705-L720 HydrophobicContact CE2-CD1 4.01Å; F705-L720 HydrophobicContact CE2-CD2 4.32Å; F705-L720 HydrophobicContact CZ-CD1 4Å; L716-L720 HydrophobicContact CG-CD1 4.08Å; L716-L720 WeakPolarHBondContact O-CB 3.3Å; L716-L720 WeakPolarHBondContact O-CG 3.32Å; L716-L720 PolarHBondContact O-N 3.44Å; L717-L720 PolarHBondContact O-N 3.14Å; L720-G724 PolarHBondContact O-N 3.22Å; L720-R725 HydrophobicContact CB-CB 4.31Å; L720-R725 HydrophobicContact CD2-CB 3.75Å; L720-R725 HydrophobicContact CD2-CG 4.19Å; L720-R725 CarbonylContact O-C 3.57Å; L720-R725 WeakPolarHBondContact O-CA 3.42Å; L720-R725 WeakPolarHBondContact O-CB 3.35Å; L720-R725 PolarHBondContact O-N 3.43Å; L720-E728 HydrophobicContact CD1-CB 4Å; L720-E728 HydrophobicContact CD2-CB 3.86Å; L720-E728 WeakPolarHBondContact CD2-OE2 3.4Å; L720-E728 HydrophobicContact CG-CB 4.46Å; L720-A729 HydrophobicContact CB-CB 3.95Å |
| 721 | F | 83.3 | Confident | 80.1 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.8 | -47.7 | 175.1 | -176.2 | -111.7 | 0 | 0 | 0 | 112.2 | L717 L718 F719 F723 G724 L726 L762 N765 L766 V769 | L717-F721 VanDerWaalsContact O-CB 3.32Å; L717-F721 WeakPolarHBondContact O-CB 3.29Å; L717-F721 PolarHBondContact O-N 3.16Å; L718-F721 PolarHBondContact O-N 3.44Å; F719-F721 VanDerWaalsContact C-N 3.26Å; F719-F721 PolarHBondContact O-N 3.3Å; F721-F723 VanDerWaalsContact C-N 3.34Å; F721-F723 PolarHBondContact O-N 2.86Å; F721-G724 PolarHBondContact O-N 2.99Å; F721-G724 VanDerWaalsContact O-N 3.16Å; F721-L726 HydrophobicContact CD2-CD2 4.28Å; F721-L726 HydrophobicContact CE2-CD2 4.46Å; F721-L762 HydrophobicContact CB-CD2 4.11Å; F721-L762 HydrophobicContact CD1-CD2 3.72Å; F721-L762 HydrophobicContact CE1-CD2 4.43Å; F721-L762 HydrophobicContact CG-CD2 4.05Å; F721-N765 HydrophobicContact CE1-CB 4.1Å; F721-N765 HydrophobicContact CE2-CB 4.46Å; F721-N765 HydrophobicContact CZ-CB 3.71Å; F721-L766 HydrophobicContact CB-CD1 4.26Å; F721-L766 HydrophobicContact CD2-CB 4.42Å; F721-L766 HydrophobicContact CD2-CD1 3.43Å; F721-L766 VanDerWaalsContact CD2-CD1 3.43Å; F721-L766 HydrophobicContact CD2-CG 4.14Å; F721-L766 HydrophobicContact CE2-CB 4.35Å; F721-L766 HydrophobicContact CE2-CD1 4.15Å; F721-L766 HydrophobicContact CE2-CG 4.4Å; F721-L766 HydrophobicContact CG-CD1 4.19Å; F721-V769 HydrophobicContact CE2-CB 4.34Å; F721-V769 HydrophobicContact CE2-CG2 3.95Å; F721-V769 HydrophobicContact CZ-CG2 3.92Å |
| 722 | E | 81 | Confident | 80.6 | Confident | 115 Ų | 115 | 38.7 Ų | 38.7 | 54% | 0.537 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 179.5 | -77.2 | -179.6 | 171.5 | 0 | 0 | 112.5 | L718 F719 G724 | L718-E722 WeakPolarHBondContact O-CB 3.34Å; L718-E722 WeakPolarHBondContact O-CG 3.25Å; L718-E722 PolarHBondContact O-N 3.12Å; F719-E722 PolarHBondContact O-N 2.88Å; E722-G724 VanDerWaalsContact C-N 3.31Å; E722-G724 PolarHBondContact O-N 3.02Å |
| 723 | F | 77.3 | Confident | 81.1 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 27% | 0.272 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 14.3 | 178.5 | -62.7 | -66.7 | 0 | 0 | 0 | 113.8 | K691 L694 E695 F719 F721 R725 | K691-F723 HydrophobicContact CG-CE2 4.2Å; K691-F723 HydrophobicContact CG-CZ 4.07Å; L694-F723 HydrophobicContact CB-CB 4.28Å; L694-F723 HydrophobicContact CB-CD1 4.39Å; L694-F723 HydrophobicContact CB-CD2 3.35Å; L694-F723 HydrophobicContact CB-CE2 3.76Å; L694-F723 HydrophobicContact CB-CG 3.74Å; L694-F723 HydrophobicContact CB-CZ 4.45Å; L694-F723 HydrophobicContact CD1-CD2 3.89Å; L694-F723 HydrophobicContact CD1-CE2 4.39Å; L694-F723 HydrophobicContact CG-CD2 4.21Å; E695-F723 HydrophobicContact CB-CE1 4.11Å; E695-F723 HydrophobicContact CB-CZ 4.38Å; E695-F723 HydrophobicContact CG-CE1 3.36Å; E695-F723 HydrophobicContact CG-CZ 3.37Å; F719-F723 HydrophobicContact CB-CD2 4.18Å; F719-F723 HydrophobicContact CB-CE2 4.27Å; F719-F723 HydrophobicContact CD1-CE2 4.33Å; F719-F723 WeakPolarHBondContact O-CB 3.42Å; F719-F723 WeakPolarHBondContact O-CD2 3.5Å; F719-F723 PolarHBondContact O-N 3.28Å; F721-F723 VanDerWaalsContact C-N 3.34Å; F721-F723 PolarHBondContact O-N 2.86Å; F723-R725 VanDerWaalsContact C-N 3.27Å; F723-R725 PolarHBondContact O-N 3.34Å |
| 724 | G | 76.2 | Confident | 81.4 | Confident | 51 Ų | 51 | 37.3 Ų | 37.3 | 53% | 0.526 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 15.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L720 F721 E722 L726 | L720-G724 PolarHBondContact O-N 3.22Å; F721-G724 PolarHBondContact O-N 2.99Å; F721-G724 VanDerWaalsContact O-N 3.16Å; E722-G724 VanDerWaalsContact C-N 3.31Å; E722-G724 PolarHBondContact O-N 3.02Å; G724-L726 PolarHBondContact O-N 3.05Å |
| 725 | R | 77 | Confident | 81.5 | Confident | 63 Ų | 63 | 34.4 Ų | 34.4 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | trans | -80.3 | 59.4 | 175.9 | -64.9 | -71.8 | -150.6 | -124.3 | -3.5 | 110.8 | G697 L720 F723 Q727 E728 A729 | G697-R725 PolarHBondContact O-NH2 3.02Å; L720-R725 HydrophobicContact CB-CB 4.31Å; L720-R725 HydrophobicContact CD2-CB 3.75Å; L720-R725 HydrophobicContact CD2-CG 4.19Å; L720-R725 CarbonylContact O-C 3.57Å; L720-R725 WeakPolarHBondContact O-CA 3.42Å; L720-R725 WeakPolarHBondContact O-CB 3.35Å; L720-R725 PolarHBondContact O-N 3.43Å; F723-R725 VanDerWaalsContact C-N 3.27Å; F723-R725 PolarHBondContact O-N 3.34Å; R725-Q727 VanDerWaalsContact C-N 3.3Å; R725-Q727 PolarHBondContact O-N 2.85Å; R725-E728 HydrophobicContact CB-CB 4.3Å; R725-E728 PolarHBondContact O-N 2.86Å; R725-A729 PolarHBondContact O-N 3.27Å | ||
| 726 | L | 81.3 | Confident | 81.4 | Confident | 27 Ų | 27 | 32.5 Ų | 32.5 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.7 | -39.1 | -171 | -62.7 | 175.8 | 0 | 0 | 0 | 113.3 | F721 G724 A729 V730 V769 L770 | F721-L726 HydrophobicContact CD2-CD2 4.28Å; F721-L726 HydrophobicContact CE2-CD2 4.46Å; G724-L726 PolarHBondContact O-N 3.05Å; L726-A729 PolarHBondContact O-N 3.44Å; L726-V730 WeakPolarHBondContact O-CG2 3.39Å; L726-V730 PolarHBondContact O-N 3.25Å; L726-V769 HydrophobicContact CD1-CG1 4Å; L726-V769 HydrophobicContact CD2-CG1 3.99Å; L726-L770 HydrophobicContact CB-CD2 4.15Å; L726-L770 HydrophobicContact CD1-CD2 4.04Å |
| 727 | Q | 81.9 | Confident | 81.3 | Confident | 95 Ų | 95 | 32.5 Ų | 32.5 | 44% | 0.444 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.7 | -42.5 | -178.9 | -175 | 151.4 | -7.6 | 0 | 0 | 112.8 | R725 A729 V730 D731 L782 | R725-Q727 VanDerWaalsContact C-N 3.3Å; R725-Q727 PolarHBondContact O-N 2.85Å; Q727-A729 VanDerWaalsContact C-N 3.27Å; Q727-A729 PolarHBondContact O-N 2.77Å; Q727-V730 PolarHBondContact O-N 3.47Å; Q727-D731 PolarHBondContact O-N 3.41Å; Q727-L782 HydrophobicContact CB-CD1 3.89Å; Q727-L782 HydrophobicContact CB-CD2 4.47Å; Q727-L782 HydrophobicContact CG-CD1 4.17Å; Q727-L782 HydrophobicContact CG-CD2 3.95Å |
| 728 | E | 78.2 | Confident | 81.1 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 19% | 0.192 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -36.6 | 174.9 | -66.7 | 171.9 | -165.2 | 0 | 0 | 110.5 | L720 R725 D731 L732 | L720-E728 HydrophobicContact CD1-CB 4Å; L720-E728 HydrophobicContact CD2-CB 3.86Å; L720-E728 WeakPolarHBondContact CD2-OE2 3.4Å; L720-E728 HydrophobicContact CG-CB 4.46Å; R725-E728 HydrophobicContact CB-CB 4.3Å; R725-E728 PolarHBondContact O-N 2.86Å; E728-D731 PolarHBondContact O-N 3.1Å; E728-L732 VanDerWaalsContact O-CB 3.31Å; E728-L732 WeakPolarHBondContact O-CB 3.42Å; E728-L732 PolarHBondContact O-N 2.92Å |
| 729 | A | 83 | Confident | 80.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L717 L720 R725 L726 Q727 D731 L732 V733 L766 | L717-A729 HydrophobicContact CD1-CB 3.95Å; L717-A729 WeakPolarHBondContact CD1-O 3.33Å; L720-A729 HydrophobicContact CB-CB 3.95Å; R725-A729 PolarHBondContact O-N 3.27Å; L726-A729 PolarHBondContact O-N 3.44Å; Q727-A729 VanDerWaalsContact C-N 3.27Å; Q727-A729 PolarHBondContact O-N 2.77Å; A729-D731 PolarHBondContact O-N 2.92Å; A729-L732 PolarHBondContact O-N 2.93Å; A729-V733 WeakPolarHBondContact O-CG2 3.38Å; A729-V733 PolarHBondContact O-N 3.11Å; A729-L766 HydrophobicContact CB-CD1 3.42Å; A729-L766 VanDerWaalsContact CB-CD1 3.42Å; A729-L766 HydrophobicContact CB-CD2 4.37Å |
| 730 | V | 84.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 174 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | L726 Q727 L732 V733 V734 L766 L770 L782 K785 L786 | L726-V730 WeakPolarHBondContact O-CG2 3.39Å; L726-V730 PolarHBondContact O-N 3.25Å; Q727-V730 PolarHBondContact O-N 3.47Å; V730-L732 VanDerWaalsContact C-N 3.29Å; V730-L732 PolarHBondContact O-N 3.11Å; V730-V733 PolarHBondContact O-N 2.91Å; V730-V734 HydrophobicContact CG1-CG2 4.06Å; V730-V734 WeakPolarHBondContact O-CB 3.48Å; V730-V734 WeakPolarHBondContact O-CG2 3.48Å; V730-V734 PolarHBondContact O-N 2.91Å; V730-L766 HydrophobicContact CB-CD2 4.41Å; V730-L766 HydrophobicContact CG2-CD2 3.37Å; V730-L770 HydrophobicContact CG2-CD1 3.55Å; V730-L782 HydrophobicContact CB-CD2 4.16Å; V730-L782 HydrophobicContact CG1-CD2 3.99Å; V730-L782 HydrophobicContact CG2-CB 4.21Å; V730-L782 HydrophobicContact CG2-CD2 4.42Å; V730-K785 HydrophobicContact CG1-CD 4.42Å; V730-L786 HydrophobicContact CG1-CB 4.32Å; V730-L786 HydrophobicContact CG1-CD1 4.21Å; V730-L786 HydrophobicContact CG2-CB 4.5Å; V730-L786 HydrophobicContact CG2-CD1 4.38Å; V730-L786 HydrophobicContact CG2-CD2 4.48Å |
| 731 | D | 84 | Confident | 78.8 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68 | -31.5 | 179.4 | -74.6 | -24.9 | 0 | 0 | 0 | 112.1 | Q727 E728 A729 W735 K785 | Q727-D731 PolarHBondContact O-N 3.41Å; E728-D731 PolarHBondContact O-N 3.1Å; A729-D731 PolarHBondContact O-N 2.92Å; D731-W735 VanDerWaalsContact O-CB 3.25Å; D731-W735 WeakPolarHBondContact O-CB 3.22Å; D731-W735 PolarHBondContact O-N 3.43Å; D731-K785 IonicContact OD1-NZ 2.69Å; D731-K785 PolarHBondContact OD1-NZ 2.8Å |
| 732 | L | 82.9 | Confident | 77.7 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -45.9 | 170.3 | -162.5 | 92.7 | 0 | 0 | 0 | 110.7 | F705 R709 A713 L716 L717 E728 A729 V730 W735 I736 | F705-L732 HydrophobicContact CE1-CD1 4.29Å; F705-L732 HydrophobicContact CZ-CD1 4.19Å; R709-L732 HydrophobicContact CB-CD1 4.44Å; R709-L732 HydrophobicContact CG-CD1 3.98Å; A713-L732 WeakPolarHBondContact O-CD2 3.39Å; L716-L732 HydrophobicContact CB-CD2 4.44Å; L716-L732 HydrophobicContact CD2-CD1 3.72Å; L716-L732 HydrophobicContact CG-CD1 4.38Å; L717-L732 HydrophobicContact CB-CD2 3.62Å; L717-L732 HydrophobicContact CD1-CB 4.16Å; L717-L732 HydrophobicContact CD1-CD2 3.72Å; L717-L732 HydrophobicContact CG-CD2 4.26Å; E728-L732 VanDerWaalsContact O-CB 3.31Å; E728-L732 WeakPolarHBondContact O-CB 3.42Å; E728-L732 PolarHBondContact O-N 2.92Å; A729-L732 PolarHBondContact O-N 2.93Å; V730-L732 VanDerWaalsContact C-N 3.29Å; V730-L732 PolarHBondContact O-N 3.11Å; L732-W735 PolarHBondContact O-N 2.82Å; L732-I736 HydrophobicContact CD2-CD1 4.16Å; L732-I736 HydrophobicContact CG-CD1 4.27Å; L732-I736 WeakPolarHBondContact O-CG1 3.16Å; L732-I736 PolarHBondContact O-N 3.46Å |
| 733 | V | 84.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | L717 A729 V730 W735 I736 C737 L758 V763 L786 V790 | L717-V733 HydrophobicContact CD1-CG2 3.51Å; L717-V733 HydrophobicContact CD2-CG2 3.91Å; L717-V733 HydrophobicContact CG-CG2 4.38Å; A729-V733 WeakPolarHBondContact O-CG2 3.38Å; A729-V733 PolarHBondContact O-N 3.11Å; V730-V733 PolarHBondContact O-N 2.91Å; V733-W735 VanDerWaalsContact C-N 3.29Å; V733-W735 PolarHBondContact O-N 3.38Å; V733-I736 CarbonylContact O-C 3.51Å; V733-I736 WeakPolarHBondContact O-CB 3.49Å; V733-I736 PolarHBondContact O-N 2.93Å; V733-I736 VanDerWaalsContact O-N 3.11Å; V733-C737 PolarHBondContact O-N 3.25Å; V733-C737 PolarHBondContact O-SG 3.18Å; V733-C737 VanDerWaalsContact O-SG 3.35Å; V733-L758 HydrophobicContact CG1-CD2 4Å; V733-L758 HydrophobicContact CG1-CG 4.4Å; V733-V763 HydrophobicContact CG1-CG1 4.27Å; V733-V763 HydrophobicContact CG1-CG2 3.96Å; V733-V763 HydrophobicContact CG2-CG2 3.94Å; V733-L786 HydrophobicContact CB-CD1 3.64Å; V733-L786 HydrophobicContact CG1-CD1 3.54Å; V733-L786 HydrophobicContact CG2-CD1 4.31Å; V733-V790 HydrophobicContact CG1-CG2 4.4Å |
| 734 | V | 83.7 | Confident | 75.2 | Confident | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -42.1 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | V730 C737 D738 K785 | V730-V734 HydrophobicContact CG1-CG2 4.06Å; V730-V734 WeakPolarHBondContact O-CB 3.48Å; V730-V734 WeakPolarHBondContact O-CG2 3.48Å; V730-V734 PolarHBondContact O-N 2.91Å; V734-C737 WeakPolarHBondContact O-CB 3.38Å; V734-C737 PolarHBondContact O-N 3.46Å; V734-D738 VanDerWaalsContact O-CB 3.31Å; V734-D738 WeakPolarHBondContact O-CB 3.46Å; V734-D738 PolarHBondContact O-N 3.41Å; V734-K785 HydrophobicContact CG2-CD 4.44Å; V734-K785 HydrophobicContact CG2-CG 4.32Å |
| 735 | W | 82.6 | Confident | 73.9 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 173.8 | 178.4 | 73.9 | 0 | 0 | 0 | 113 | R709 D731 L732 V733 C737 D738 N739 M756 | R709-W735 HydrophobicContact CG-CD2 4.5Å; R709-W735 HydrophobicContact CG-CE3 3.96Å; R709-W735 HydrophobicContact CG-CH2 3.68Å; R709-W735 HydrophobicContact CG-CZ2 4.19Å; R709-W735 HydrophobicContact CG-CZ3 3.55Å; R709-W735 VanDerWaalsContact NE-CE2 3.26Å; R709-W735 VanDerWaalsContact NH2-CD2 3.33Å; R709-W735 VanDerWaalsContact NH2-NE1 3.11Å; D731-W735 VanDerWaalsContact O-CB 3.25Å; D731-W735 WeakPolarHBondContact O-CB 3.22Å; D731-W735 PolarHBondContact O-N 3.43Å; L732-W735 PolarHBondContact O-N 2.82Å; V733-W735 VanDerWaalsContact C-N 3.29Å; V733-W735 PolarHBondContact O-N 3.38Å; W735-C737 VanDerWaalsContact C-N 3.34Å; W735-D738 PolarHBondContact O-N 2.99Å; W735-N739 WeakPolarHBondContact CH2-ND2 3.37Å; W735-N739 WeakPolarHBondContact CZ2-ND2 3.45Å; W735-N739 PolarHBondContact NE1-ND2 3.34Å; W735-N739 PolarHBondContact NE1-OD1 2.95Å; W735-N739 VanDerWaalsContact O-CB 3.22Å; W735-N739 WeakPolarHBondContact O-CB 3.38Å; W735-N739 PolarHBondContact O-N 2.89Å; W735-M756 HydrophobicContact CZ3-CE 4.01Å |
| 736 | I | 78.6 | Confident | 72.1 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 173.8 | -66.6 | 163.6 | 0 | 0 | 0 | 109.3 | A713 L732 V733 A740 M756 L758 | A713-I736 HydrophobicContact CB-CD1 4.32Å; L732-I736 HydrophobicContact CD2-CD1 4.16Å; L732-I736 HydrophobicContact CG-CD1 4.27Å; L732-I736 WeakPolarHBondContact O-CG1 3.16Å; L732-I736 PolarHBondContact O-N 3.46Å; V733-I736 CarbonylContact O-C 3.51Å; V733-I736 WeakPolarHBondContact O-CB 3.49Å; V733-I736 PolarHBondContact O-N 2.93Å; V733-I736 VanDerWaalsContact O-N 3.11Å; I736-A740 WeakPolarHBondContact O-CB 3.32Å; I736-A740 PolarHBondContact O-N 3.36Å; I736-M756 HydrophobicContact CD1-CE 4.38Å; I736-M756 HydrophobicContact CG1-CE 3.8Å; I736-M756 HydrophobicContact CG2-CB 4.34Å; I736-M756 HydrophobicContact CG2-CE 4.46Å; I736-L758 HydrophobicContact CB-CD1 4.49Å; I736-L758 HydrophobicContact CG2-CD1 3.76Å |
| 737 | C | 78.5 | Confident | 69.8 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 174.8 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | V733 V734 W735 A740 L741 L758 S789 | V733-C737 PolarHBondContact O-N 3.25Å; V733-C737 PolarHBondContact O-SG 3.18Å; V733-C737 VanDerWaalsContact O-SG 3.35Å; V734-C737 WeakPolarHBondContact O-CB 3.38Å; V734-C737 PolarHBondContact O-N 3.46Å; W735-C737 VanDerWaalsContact C-N 3.34Å; C737-A740 PolarHBondContact O-N 3.04Å; C737-L741 WeakPolarHBondContact O-CB 3.44Å; C737-L741 WeakPolarHBondContact O-CG 3.47Å; C737-L741 PolarHBondContact O-N 2.86Å; C737-L758 VanDerWaalsContact SG-CD1 3.6Å; C737-S789 WeakPolarHBondContact CB-OG 3.39Å |
| 738 | D | 76.6 | Confident | 67.5 | Low | 83 Ų | 83 | 58.1 Ų | 58.1 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | -178 | -72 | -14.6 | 0 | 0 | 0 | 111.9 | V734 W735 S742 | V734-D738 VanDerWaalsContact O-CB 3.31Å; V734-D738 WeakPolarHBondContact O-CB 3.46Å; V734-D738 PolarHBondContact O-N 3.41Å; W735-D738 PolarHBondContact O-N 2.99Å; D738-S742 WeakPolarHBondContact O-CB 3.36Å; D738-S742 PolarHBondContact O-N 2.73Å; D738-S742 PolarHBondContact O-OG 3.21Å |
| 739 | N | 71.8 | Confident | 65.4 | Low | 46 Ų | 46 | 62.2 Ų | 62.2 | 25% | 0.246 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70 | -38.4 | 171.5 | -91.7 | 3.5 | 0 | 0 | 0 | 111.7 | W735 L741 S742 M743 | W735-N739 WeakPolarHBondContact CH2-ND2 3.37Å; W735-N739 WeakPolarHBondContact CZ2-ND2 3.45Å; W735-N739 PolarHBondContact NE1-ND2 3.34Å; W735-N739 PolarHBondContact NE1-OD1 2.95Å; W735-N739 VanDerWaalsContact O-CB 3.22Å; W735-N739 WeakPolarHBondContact O-CB 3.38Å; W735-N739 PolarHBondContact O-N 2.89Å; N739-L741 VanDerWaalsContact C-N 3.3Å; N739-L741 PolarHBondContact O-N 3.16Å; N739-S742 WeakPolarHBondContact CA-OG 3.48Å; N739-S742 PolarHBondContact O-OG 3.33Å; N739-M743 WeakPolarHBondContact O-CB 3.1Å; N739-M743 VanDerWaalsContact O-CG 3.26Å; N739-M743 WeakPolarHBondContact O-CG 3.41Å; N739-M743 PolarHBondContact O-N 2.83Å |
| 740 | A | 67.8 | Low | 62.9 | Low | 21 Ų | 21 | 67.8 Ų | 67.8 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.1 | -32.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | I736 C737 Y793 | I736-A740 WeakPolarHBondContact O-CB 3.32Å; I736-A740 PolarHBondContact O-N 3.36Å; C737-A740 PolarHBondContact O-N 3.04Å; A740-Y793 HydrophobicContact CB-CD2 4.15Å; A740-Y793 HydrophobicContact CB-CE2 3.66Å |
| 741 | L | 60.5 | Low | 60.4 | Low | 46 Ų | 46 | 70.6 Ų | 70.6 | 24% | 0.241 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -76.1 | -43.1 | 173.8 | -71 | 165.9 | 0 | 0 | 0 | 111.9 | C737 N739 R744 T796 | C737-L741 WeakPolarHBondContact O-CB 3.44Å; C737-L741 WeakPolarHBondContact O-CG 3.47Å; C737-L741 PolarHBondContact O-N 2.86Å; N739-L741 VanDerWaalsContact C-N 3.3Å; N739-L741 PolarHBondContact O-N 3.16Å; L741-R744 PolarHBondContact O-N 2.76Å; L741-T796 HydrophobicContact CD2-CG2 4.05Å; L741-T796 VanDerWaalsContact CD2-OG1 3.31Å; L741-T796 WeakPolarHBondContact CD2-OG1 3.04Å |
| 742 | S | 61.4 | Low | 57.8 | Low | 56 Ų | 56 | 73.2 Ų | 73.2 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.2 | -26.5 | -179.8 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | D738 N739 R744 S745 | D738-S742 WeakPolarHBondContact O-CB 3.36Å; D738-S742 PolarHBondContact O-N 2.73Å; D738-S742 PolarHBondContact O-OG 3.21Å; N739-S742 WeakPolarHBondContact CA-OG 3.48Å; N739-S742 PolarHBondContact O-OG 3.33Å; S742-R744 PolarHBondContact O-N 2.78Å; S742-S745 PolarHBondContact O-N 3.13Å; S742-S745 PolarHBondContact O-OG 2.89Å |
| 743 | M | 55.3 | Low | 55.5 | Low | 138 Ų | 138 | 76.6 Ų | 76.6 | 68% | 0.68 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -13.7 | 170.4 | -78.7 | -162 | 153.3 | 0 | 0 | 113.2 | N739 | N739-M743 WeakPolarHBondContact O-CB 3.1Å; N739-M743 VanDerWaalsContact O-CG 3.26Å; N739-M743 WeakPolarHBondContact O-CG 3.41Å; N739-M743 PolarHBondContact O-N 2.83Å |
| 744 | R | 50.7 | Low | 53.5 | Low | 127 Ų | 127 | 79.6 Ų | 79.6 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12.8 | 176.6 | -75 | -178 | 175 | -149.7 | -5 | 114.5 | L741 S742 D800 | L741-R744 PolarHBondContact O-N 2.76Å; S742-R744 PolarHBondContact O-N 2.78Å; R744-D800 IonicContact CZ-OD2 2.61Å; R744-D800 IonicContact NH1-OD2 3.47Å; R744-D800 PolarHBondContact NH1-OD2 2.91Å |
| 745 | S | 48 | Very low | 51.7 | Low | 89 Ų | 89 | 88.9 Ų | 88.9 | 62% | 0.622 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -96.9 | -4.2 | -178 | 64.4 | 0 | 0 | 0 | 0 | 115.2 | S742 | S742-S745 PolarHBondContact O-N 3.13Å; S742-S745 PolarHBondContact O-OG 2.89Å |
| 746 | N | 38.7 | Very low | 50.3 | Low | 119 Ų | 119 | 89.9 Ų | 89.9 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | trans | -124.6 | 104.3 | 179.7 | -71.9 | -27.1 | 0 | 0 | 0 | 109.9 | D748 | N746-D748 PolarHBondContact O-N 2.87Š| ||
| 747 | D | 33.9 | Very low | 49.4 | Very low | 163 Ų | 163 | 96.4 Ų | 96.4 | 87% | 0.872 | 57% | 0.565 | S | S | * | * | trans | -67.5 | 26.6 | -176.4 | -81.5 | -32.5 | 0 | 0 | 0 | 115.9 | ||||
| 748 | D | 32.8 | Very low | 48.8 | Very low | 162 Ų | 162 | 96.9 Ų | 96.9 | 87% | 0.866 | 57% | 0.567 | S | S | * | * | trans | -121.3 | 84.4 | 177.3 | -75.1 | -35 | 0 | 0 | 0 | 111.1 | N746 | N746-D748 PolarHBondContact O-N 2.87Š| ||
| 749 | V | 34.5 | Very low | 48.4 | Very low | 128 Ų | 128 | 94 Ų | 94 | 78% | 0.776 | 55% | 0.553 | S | S | * | * | trans | -113.1 | 113.3 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 750 | S | 30.7 | Very low | 48.7 | Very low | 116 Ų | 116 | 95.2 Ų | 95.2 | 81% | 0.811 | 56% | 0.559 | S | S | * | * | trans | -121.1 | 109 | 158.6 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 751 | A | 30.9 | Very low | 49.2 | Very low | 59 Ų | 59 | 100.6 Ų | 100.6 | 49% | 0.488 | 58% | 0.584 | S | S | . | * | S | Bend | trans | 49.1 | 99 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | L811 | A751-L811 WeakPolarHBondContact CB-O 3.45Š|
| 752 | A | 30.3 | Very low | 50.1 | Low | 106 Ų | 106 | 99 Ų | 99 | 88% | 0.876 | 58% | 0.576 | S | S | * | * | trans | 168.7 | -11.4 | 130.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G754 | A752-G754 PolarHBondContact O-N 3.4Š| ||
| 753 | G | 33.6 | Very low | 51 | Low | 75 Ų | 75 | 96.3 Ų | 96.3 | 77% | 0.773 | 56% | 0.557 | S | S | * | * | trans | -78.1 | 103.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R755 | G753-R755 PolarHBondContact O-N 3.32Š| ||
| 754 | G | 43.1 | Very low | 52.4 | Low | 64 Ų | 64 | 94.1 Ų | 94.1 | 66% | 0.66 | 55% | 0.548 | S | S | * | . | trans | -54.1 | 132.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A752 M756 | A752-G754 PolarHBondContact O-N 3.4Å; G754-M756 PolarHBondContact O-N 2.71Å | ||
| 755 | R | 46.1 | Very low | 53.9 | Low | 209 Ų | 209 | 91.3 Ų | 91.3 | 79% | 0.789 | 54% | 0.543 | S | S | * | . | trans | -48.3 | 105.8 | 176.9 | -75.4 | -179.2 | 176 | -176.2 | -2.6 | 108.8 | G753 H757 | G753-R755 PolarHBondContact O-N 3.32Å; R755-H757 PolarHBondContact O-N 3.49Å | ||
| 756 | M | 52.1 | Low | 55.6 | Low | 75 Ų | 75 | 87 Ų | 87 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | trans | -69.4 | 99 | 174.9 | -75 | -175.5 | 106.7 | 0 | 0 | 107.7 | A713 W735 I736 G754 | A713-M756 HydrophobicContact CB-CE 3.41Å; A713-M756 VanDerWaalsContact CB-CE 3.41Å; W735-M756 HydrophobicContact CZ3-CE 4.01Å; I736-M756 HydrophobicContact CD1-CE 4.38Å; I736-M756 HydrophobicContact CG1-CE 3.8Å; I736-M756 HydrophobicContact CG2-CB 4.34Å; I736-M756 HydrophobicContact CG2-CE 4.46Å; G754-M756 PolarHBondContact O-N 2.71Å | ||
| 757 | H | 59.4 | Low | 57.7 | Low | 143 Ų | 143 | 82.2 Ų | 82.2 | 66% | 0.662 | 49% | 0.487 | S | S | * | . | trans | -81.7 | 134.8 | 165.2 | -76.3 | -71.2 | 0 | 0 | 0 | 108.6 | R755 P759 | R755-H757 PolarHBondContact O-N 3.49Å; H757-P759 WeakPolarHBondContact O-CD 3.11Å | ||
| 758 | L | 66 | Low | 60 | Low | 9 Ų | 9 | 78.8 Ų | 78.8 | 5% | 0.047 | 47% | 0.468 | C | S | . | . | trans | -59.6 | 127.6 | 170.4 | -120.6 | 85.8 | 0 | 0 | 0 | 108.3 | V733 I736 C737 N760 V763 V790 Y793 | V733-L758 HydrophobicContact CG1-CD2 4Å; V733-L758 HydrophobicContact CG1-CG 4.4Å; I736-L758 HydrophobicContact CB-CD1 4.49Å; I736-L758 HydrophobicContact CG2-CD1 3.76Å; C737-L758 VanDerWaalsContact SG-CD1 3.6Å; L758-N760 PolarHBondContact O-N 2.84Å; L758-N760 PolarHBondContact O-OD1 2.87Å; L758-N760 VanDerWaalsContact O-OD1 3.06Å; L758-V763 HydrophobicContact CD2-CB 4.36Å; L758-V763 HydrophobicContact CD2-CG1 4.06Å; L758-V763 HydrophobicContact CD2-CG2 3.83Å; L758-V763 HydrophobicContact CG-CG2 4.18Å; L758-V790 HydrophobicContact CD2-CG2 4Å; L758-Y793 HydrophobicContact CB-CE1 4.3Å; L758-Y793 HydrophobicContact CD1-CD1 4.35Å; L758-Y793 HydrophobicContact CD1-CE1 4.26Å; L758-Y793 HydrophobicContact CD1-CE2 4.45Å; L758-Y793 HydrophobicContact CD1-CG 4.47Å | ||
| 759 | P | 70 | Confident | 62.4 | Low | 23 Ų | 23 | 73.7 Ų | 73.7 | 15% | 0.149 | 44% | 0.443 | C | S | . | . | trans | -74.7 | 83.1 | 174.4 | 29.5 | -32.6 | 0 | 0 | 0 | 109.3 | Y714 L717 H757 L761 L762 V763 | Y714-P759 HydrophobicContact CD2-CB 3.69Å; Y714-P759 HydrophobicContact CD2-CG 4.1Å; Y714-P759 HydrophobicContact CE2-CB 3.55Å; Y714-P759 HydrophobicContact CE2-CG 4.36Å; L717-P759 HydrophobicContact CD2-CG 3.52Å; H757-P759 WeakPolarHBondContact O-CD 3.11Å; P759-L761 VanDerWaalsContact C-N 3.28Å; P759-L761 PolarHBondContact O-N 3.26Å; P759-L761 VanDerWaalsContact O-N 3.15Å; P759-L762 HydrophobicContact CB-CB 4.21Å; P759-L762 HydrophobicContact CB-CD1 4.24Å; P759-L762 HydrophobicContact CG-CB 4.29Å; P759-L762 WeakPolarHBondContact O-CB 3.35Å; P759-L762 PolarHBondContact O-N 3.12Å; P759-V763 HydrophobicContact CG-CG2 4.43Å; P759-V763 WeakPolarHBondContact O-CG2 3.4Å; P759-V763 PolarHBondContact O-N 2.95Å | ||
| 760 | N | 77.1 | Confident | 64.6 | Low | 72 Ų | 72 | 67.6 Ų | 67.6 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -51.2 | -43.5 | -168.6 | -66.8 | -16.4 | 0 | 0 | 0 | 113.6 | L758 L762 V763 D764 Y794 | L758-N760 PolarHBondContact O-N 2.84Å; L758-N760 PolarHBondContact O-OD1 2.87Å; L758-N760 VanDerWaalsContact O-OD1 3.06Å; N760-L762 VanDerWaalsContact C-N 3.34Å; N760-L762 PolarHBondContact O-N 3.36Å; N760-V763 PolarHBondContact O-N 3.49Å; N760-D764 VanDerWaalsContact O-CB 3.25Å; N760-D764 WeakPolarHBondContact O-CB 3.44Å; N760-D764 PolarHBondContact O-N 3.26Å; N760-Y794 PolarHBondContact ND2-OH 2.97Å; N760-Y794 PolarHBondContact OD1-OH 3.15Å |
| 761 | L | 77.4 | Confident | 67 | Low | 133 Ų | 133 | 65.5 Ų | 65.5 | 70% | 0.696 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 179.4 | -158.6 | 83.6 | 0 | 0 | 0 | 112.6 | P759 N765 | P759-L761 VanDerWaalsContact C-N 3.28Å; P759-L761 PolarHBondContact O-N 3.26Å; P759-L761 VanDerWaalsContact O-N 3.15Å; L761-N765 VanDerWaalsContact O-CB 3.31Å; L761-N765 WeakPolarHBondContact O-CB 3.04Å; L761-N765 PolarHBondContact O-N 2.99Å; L761-N765 PolarHBondContact O-ND2 2.78Å |
| 762 | L | 79.4 | Confident | 69.2 | Low | 12 Ų | 12 | 69.8 Ų | 69.8 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.8 | -41 | 176.6 | -95.9 | 157.6 | 0 | 0 | 0 | 111.1 | Y714 L717 L718 F721 P759 N760 N765 L766 | Y714-L762 HydrophobicContact CD2-CD1 4.38Å; Y714-L762 HydrophobicContact CE2-CD1 3.68Å; L717-L762 HydrophobicContact CD2-CB 4.21Å; L718-L762 HydrophobicContact CD1-CD1 3.79Å; L718-L762 HydrophobicContact CD1-CD2 4.06Å; L718-L762 HydrophobicContact CD1-CG 4.35Å; F721-L762 HydrophobicContact CB-CD2 4.11Å; F721-L762 HydrophobicContact CD1-CD2 3.72Å; F721-L762 HydrophobicContact CE1-CD2 4.43Å; F721-L762 HydrophobicContact CG-CD2 4.05Å; P759-L762 HydrophobicContact CB-CB 4.21Å; P759-L762 HydrophobicContact CB-CD1 4.24Å; P759-L762 HydrophobicContact CG-CB 4.29Å; P759-L762 WeakPolarHBondContact O-CB 3.35Å; P759-L762 PolarHBondContact O-N 3.12Å; N760-L762 VanDerWaalsContact C-N 3.34Å; N760-L762 PolarHBondContact O-N 3.36Å; L762-N765 PolarHBondContact O-N 3.23Å; L762-L766 WeakPolarHBondContact O-CB 3.07Å; L762-L766 PolarHBondContact O-N 2.87Å |
| 763 | V | 81.9 | Confident | 71.1 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | V733 L758 P759 N760 L766 L767 L786 V790 | V733-V763 HydrophobicContact CG1-CG1 4.27Å; V733-V763 HydrophobicContact CG1-CG2 3.96Å; V733-V763 HydrophobicContact CG2-CG2 3.94Å; L758-V763 HydrophobicContact CD2-CB 4.36Å; L758-V763 HydrophobicContact CD2-CG1 4.06Å; L758-V763 HydrophobicContact CD2-CG2 3.83Å; L758-V763 HydrophobicContact CG-CG2 4.18Å; P759-V763 HydrophobicContact CG-CG2 4.43Å; P759-V763 WeakPolarHBondContact O-CG2 3.4Å; P759-V763 PolarHBondContact O-N 2.95Å; N760-V763 PolarHBondContact O-N 3.49Å; V763-L766 WeakPolarHBondContact O-CB 3.47Å; V763-L766 PolarHBondContact O-N 3.35Å; V763-L767 WeakPolarHBondContact O-CB 3.27Å; V763-L767 PolarHBondContact O-N 3.49Å; V763-L786 HydrophobicContact CG1-CD2 4.28Å; V763-V790 HydrophobicContact CG1-CG2 3.78Å |
| 764 | D | 83.1 | Confident | 72.5 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 49% | 0.492 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.7 | -70.6 | -21 | 0 | 0 | 0 | 110.4 | N760 L766 L767 L768 | N760-D764 VanDerWaalsContact O-CB 3.25Å; N760-D764 WeakPolarHBondContact O-CB 3.44Å; N760-D764 PolarHBondContact O-N 3.26Å; D764-L766 VanDerWaalsContact C-N 3.33Å; D764-L766 PolarHBondContact O-N 3.15Å; D764-L767 WeakPolarHBondContact O-CB 3.24Å; D764-L767 PolarHBondContact O-N 3.5Å; D764-L768 WeakPolarHBondContact O-CB 3.49Å; D764-L768 PolarHBondContact O-N 2.84Å |
| 765 | N | 83.5 | Confident | 73.8 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 173.7 | -71.6 | -18.8 | 0 | 0 | 0 | 111.9 | F721 L761 L762 L767 L768 V769 | F721-N765 HydrophobicContact CE1-CB 4.1Å; F721-N765 HydrophobicContact CE2-CB 4.46Å; F721-N765 HydrophobicContact CZ-CB 3.71Å; L761-N765 VanDerWaalsContact O-CB 3.31Å; L761-N765 WeakPolarHBondContact O-CB 3.04Å; L761-N765 PolarHBondContact O-N 2.99Å; L761-N765 PolarHBondContact O-ND2 2.78Å; L762-N765 PolarHBondContact O-N 3.23Å; N765-L767 VanDerWaalsContact C-N 3.33Å; N765-L768 PolarHBondContact O-N 3.26Å; N765-V769 VanDerWaalsContact O-CG2 3.31Å; N765-V769 WeakPolarHBondContact O-CG2 3.44Å; N765-V769 PolarHBondContact O-N 3.45Å |
| 766 | L | 82.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 174.8 | -148.8 | 112.2 | 0 | 0 | 0 | 111 | F721 A729 V730 L762 V763 D764 L770 L786 | F721-L766 HydrophobicContact CB-CD1 4.26Å; F721-L766 HydrophobicContact CD2-CB 4.42Å; F721-L766 HydrophobicContact CD2-CD1 3.43Å; F721-L766 VanDerWaalsContact CD2-CD1 3.43Å; F721-L766 HydrophobicContact CD2-CG 4.14Å; F721-L766 HydrophobicContact CE2-CB 4.35Å; F721-L766 HydrophobicContact CE2-CD1 4.15Å; F721-L766 HydrophobicContact CE2-CG 4.4Å; F721-L766 HydrophobicContact CG-CD1 4.19Å; A729-L766 HydrophobicContact CB-CD1 3.42Å; A729-L766 VanDerWaalsContact CB-CD1 3.42Å; A729-L766 HydrophobicContact CB-CD2 4.37Å; V730-L766 HydrophobicContact CB-CD2 4.41Å; V730-L766 HydrophobicContact CG2-CD2 3.37Å; L762-L766 WeakPolarHBondContact O-CB 3.07Å; L762-L766 PolarHBondContact O-N 2.87Å; V763-L766 WeakPolarHBondContact O-CB 3.47Å; V763-L766 PolarHBondContact O-N 3.35Å; D764-L766 VanDerWaalsContact C-N 3.33Å; D764-L766 PolarHBondContact O-N 3.15Å; L766-L770 HydrophobicContact CD2-CD1 3.86Å; L766-L770 HydrophobicContact CG-CD1 4.44Å; L766-L770 WeakPolarHBondContact O-CB 3.4Å; L766-L770 WeakPolarHBondContact O-CD1 3.49Å; L766-L770 WeakPolarHBondContact O-CG 3.24Å; L766-L770 PolarHBondContact O-N 3.33Å; L766-L786 HydrophobicContact CB-CD2 4.3Å; L766-L786 HydrophobicContact CD2-CD2 3.67Å |
| 767 | L | 83 | Confident | 76.3 | Confident | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176 | -120.2 | 141.5 | 0 | 0 | 0 | 111.2 | V763 D764 N765 L770 E771 L786 R787 | V763-L767 WeakPolarHBondContact O-CB 3.27Å; V763-L767 PolarHBondContact O-N 3.49Å; D764-L767 WeakPolarHBondContact O-CB 3.24Å; D764-L767 PolarHBondContact O-N 3.5Å; N765-L767 VanDerWaalsContact C-N 3.33Å; L767-L770 PolarHBondContact O-N 2.87Å; L767-E771 HydrophobicContact CD2-CG 4.28Å; L767-E771 WeakPolarHBondContact CD2-OE1 3.38Å; L767-E771 VanDerWaalsContact O-CB 3.27Å; L767-E771 WeakPolarHBondContact O-CB 3.48Å; L767-E771 VanDerWaalsContact O-CG 3.25Å; L767-E771 WeakPolarHBondContact O-CG 3.4Å; L767-E771 PolarHBondContact O-N 3Å; L767-L786 HydrophobicContact CB-CD2 4.36Å; L767-L786 HydrophobicContact CD1-CD2 3.76Å; L767-L786 HydrophobicContact CD1-CG 4.09Å; L767-L786 HydrophobicContact CG-CD2 3.85Å; L767-R787 HydrophobicContact CD1-CG 4.4Å; L767-R787 HydrophobicContact CD2-CG 3.86Å |
| 768 | L | 83.7 | Confident | 77.1 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 177.5 | -127.8 | 141.3 | 0 | 0 | 0 | 111.4 | D764 N765 L770 E771 E772 | D764-L768 WeakPolarHBondContact O-CB 3.49Å; D764-L768 PolarHBondContact O-N 2.84Å; N765-L768 PolarHBondContact O-N 3.26Å; L768-L770 PolarHBondContact O-N 2.92Å; L768-E771 PolarHBondContact O-N 3.24Å; L768-E772 HydrophobicContact CD2-CG 4.23Å; L768-E772 WeakPolarHBondContact O-CB 3.06Å; L768-E772 WeakPolarHBondContact O-CG 3.4Å; L768-E772 PolarHBondContact O-N 3.08Å |
| 769 | V | 82.2 | Confident | 77.8 | Confident | 55 Ų | 55 | 72.5 Ų | 72.5 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | F721 L726 N765 E771 D773 | F721-V769 HydrophobicContact CE2-CB 4.34Å; F721-V769 HydrophobicContact CE2-CG2 3.95Å; F721-V769 HydrophobicContact CZ-CG2 3.92Å; L726-V769 HydrophobicContact CD1-CG1 4Å; L726-V769 HydrophobicContact CD2-CG1 3.99Å; N765-V769 VanDerWaalsContact O-CG2 3.31Å; N765-V769 WeakPolarHBondContact O-CG2 3.44Å; N765-V769 PolarHBondContact O-N 3.45Å; V769-E771 VanDerWaalsContact C-N 3.31Å; V769-E771 PolarHBondContact O-N 3.39Å; V769-D773 PolarHBondContact O-N 2.95Å |
| 770 | L | 80.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.1 | -26 | 176.1 | -70.6 | 168.2 | 0 | 0 | 0 | 113.2 | L726 V730 L766 L767 L768 N779 L782 A783 L786 | L726-L770 HydrophobicContact CB-CD2 4.15Å; L726-L770 HydrophobicContact CD1-CD2 4.04Å; V730-L770 HydrophobicContact CG2-CD1 3.55Å; L766-L770 HydrophobicContact CD2-CD1 3.86Å; L766-L770 HydrophobicContact CG-CD1 4.44Å; L766-L770 WeakPolarHBondContact O-CB 3.4Å; L766-L770 WeakPolarHBondContact O-CD1 3.49Å; L766-L770 WeakPolarHBondContact O-CG 3.24Å; L766-L770 PolarHBondContact O-N 3.33Å; L767-L770 PolarHBondContact O-N 2.87Å; L768-L770 PolarHBondContact O-N 2.92Å; L770-N779 HydrophobicContact CD2-CB 3.87Å; L770-L782 HydrophobicContact CD1-CB 4.2Å; L770-L782 HydrophobicContact CD2-CB 3.97Å; L770-L782 HydrophobicContact CD2-CD1 4.31Å; L770-A783 HydrophobicContact CB-CB 3.88Å; L770-L786 HydrophobicContact CD1-CD2 4.35Å |
| 771 | E | 80.3 | Confident | 78.6 | Confident | 72 Ų | 72 | 76.7 Ų | 76.7 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -88.1 | -33.2 | 178.1 | -76 | -178.4 | 179.9 | 0 | 0 | 113.2 | L767 L768 V769 D773 S774 A783 R787 | L767-E771 HydrophobicContact CD2-CG 4.28Å; L767-E771 WeakPolarHBondContact CD2-OE1 3.38Å; L767-E771 VanDerWaalsContact O-CB 3.27Å; L767-E771 WeakPolarHBondContact O-CB 3.48Å; L767-E771 VanDerWaalsContact O-CG 3.25Å; L767-E771 WeakPolarHBondContact O-CG 3.4Å; L767-E771 PolarHBondContact O-N 3Å; L768-E771 PolarHBondContact O-N 3.24Å; V769-E771 VanDerWaalsContact C-N 3.31Å; V769-E771 PolarHBondContact O-N 3.39Å; E771-D773 VanDerWaalsContact C-N 3.29Å; E771-S774 WeakPolarHBondContact O-CB 3.22Å; E771-S774 PolarHBondContact O-N 3.36Å; E771-A783 HydrophobicContact CG-CB 4.24Å; E771-R787 IonicContact OE1-CZ 2.77Å; E771-R787 IonicContact OE1-NE 3.23Å; E771-R787 PolarHBondContact OE1-NE 2.83Å; E771-R787 IonicContact OE1-NH2 3.08Å; E771-R787 PolarHBondContact OE1-NH2 3.34Å; E771-R787 IonicContact OE2-NH2 3.74Å; E771-R787 PolarHBondContact OE2-NH2 2.86Å |
| 772 | E | 77.6 | Confident | 78.8 | Confident | 148 Ų | 148 | 71 Ų | 71 | 69% | 0.692 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.4 | -37.6 | 173.8 | -79.7 | -173.6 | 166.8 | 0 | 0 | 111 | L768 S774 | L768-E772 HydrophobicContact CD2-CG 4.23Å; L768-E772 WeakPolarHBondContact O-CB 3.06Å; L768-E772 WeakPolarHBondContact O-CG 3.4Å; L768-E772 PolarHBondContact O-N 3.08Å; E772-S774 PolarHBondContact O-N 2.81Å |
| 773 | D | 70.1 | Confident | 79 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 40% | 0.401 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 43.1 | 177.3 | -149.2 | 26.3 | 0 | 0 | 0 | 112.4 | V769 E771 E775 N776 N779 | V769-D773 PolarHBondContact O-N 2.95Å; E771-D773 VanDerWaalsContact C-N 3.29Å; D773-E775 PolarHBondContact O-N 3.32Å; D773-N776 PolarHBondContact O-N 2.65Å; D773-N779 PolarHBondContact OD2-ND2 3.28Å |
| 774 | S | 64.3 | Low | 79.1 | Confident | 76 Ų | 76 | 76.9 Ų | 76.9 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.4 | -175.2 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | E771 E772 N776 | E771-S774 WeakPolarHBondContact O-CB 3.22Å; E771-S774 PolarHBondContact O-N 3.36Å; E772-S774 PolarHBondContact O-N 2.81Å; S774-N776 VanDerWaalsContact C-N 3.34Å |
| 775 | E | 69.9 | Low | 79.2 | Confident | 189 Ų | 189 | 76.7 Ų | 76.7 | 88% | 0.883 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.4 | 175.3 | -62.5 | -167.8 | 169.1 | 0 | 0 | 112.8 | D773 | D773-E775 PolarHBondContact O-N 3.32Š|
| 776 | N | 73.3 | Confident | 79.3 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 40% | 0.401 | 36% | 0.364 | S | S | . | . | trans | -93.6 | 105.4 | -176.4 | -154.6 | -16.1 | 0 | 0 | 0 | 110.6 | D773 S774 K778 N779 L780 | D773-N776 PolarHBondContact O-N 2.65Å; S774-N776 VanDerWaalsContact C-N 3.34Å; N776-K778 PolarHBondContact O-N 3.45Å; N776-N779 HydrophobicContact CB-CB 4.16Å; N776-N779 PolarHBondContact O-N 3.18Å; N776-L780 PolarHBondContact O-N 3.15Å | ||
| 777 | E | 77.2 | Confident | 79.3 | Confident | 160 Ų | 160 | 79.9 Ų | 79.9 | 75% | 0.748 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -51.9 | -32.6 | -177.1 | -111.1 | -172.5 | 165.7 | 0 | 0 | 113.1 | L781 | E777-L781 WeakPolarHBondContact O-CB 3.31Å; E777-L781 PolarHBondContact O-N 3.1Å |
| 778 | K | 77 | Confident | 79.3 | Confident | 146 Ų | 146 | 82.5 Ų | 82.5 | 64% | 0.635 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.1 | -46.4 | 175 | -70 | -176.9 | -178.9 | 175.9 | 0 | 111.9 | N776 L780 L781 L782 | N776-K778 PolarHBondContact O-N 3.45Å; K778-L780 VanDerWaalsContact C-N 3.31Å; K778-L780 PolarHBondContact O-N 3.24Å; K778-L781 PolarHBondContact O-N 3.4Å; K778-L782 WeakPolarHBondContact O-CB 3.27Å; K778-L782 VanDerWaalsContact O-CG 3.27Å; K778-L782 WeakPolarHBondContact O-CG 3.4Å; K778-L782 PolarHBondContact O-N 2.83Å |
| 779 | N | 79.2 | Confident | 79.2 | Confident | 18 Ų | 18 | 78.7 Ų | 78.7 | 10% | 0.096 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.2 | -37.1 | 179.5 | -69 | -12.3 | 0 | 0 | 0 | 110.5 | L770 D773 N776 L781 L782 A783 | L770-N779 HydrophobicContact CD2-CB 3.87Å; D773-N779 PolarHBondContact OD2-ND2 3.28Å; N776-N779 HydrophobicContact CB-CB 4.16Å; N776-N779 PolarHBondContact O-N 3.18Å; N779-L781 PolarHBondContact O-N 2.95Å; N779-L782 PolarHBondContact O-N 3.34Å; N779-A783 WeakPolarHBondContact O-CB 3.24Å; N779-A783 PolarHBondContact O-N 3.37Å |
| 780 | L | 82 | Confident | 79.2 | Confident | 63 Ų | 63 | 76.7 Ų | 76.7 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 173.2 | -160.6 | 83.4 | 0 | 0 | 0 | 112.8 | N776 K778 K784 | N776-L780 PolarHBondContact O-N 3.15Å; K778-L780 VanDerWaalsContact C-N 3.31Å; K778-L780 PolarHBondContact O-N 3.24Å; L780-K784 WeakPolarHBondContact O-CB 3.43Å; L780-K784 WeakPolarHBondContact O-CG 3.26Å; L780-K784 PolarHBondContact O-N 2.96Å |
| 781 | L | 82.5 | Confident | 79.1 | Confident | 119 Ų | 119 | 80 Ų | 80 | 62% | 0.623 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.8 | -41.3 | 174.3 | -96.7 | 154.3 | 0 | 0 | 0 | 111.9 | E777 K778 N779 K784 K785 | E777-L781 WeakPolarHBondContact O-CB 3.31Å; E777-L781 PolarHBondContact O-N 3.1Å; K778-L781 PolarHBondContact O-N 3.4Å; N779-L781 PolarHBondContact O-N 2.95Å; L781-K784 PolarHBondContact O-N 2.93Å; L781-K785 WeakPolarHBondContact O-CB 3.41Å; L781-K785 PolarHBondContact O-N 2.81Å |
| 782 | L | 82 | Confident | 79 | Confident | 13 Ų | 13 | 79.1 Ų | 79.1 | 7% | 0.068 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 175.2 | -73.7 | 173.4 | 0 | 0 | 0 | 111.6 | Q727 V730 L770 K778 N779 K784 K785 L786 | Q727-L782 HydrophobicContact CB-CD1 3.89Å; Q727-L782 HydrophobicContact CB-CD2 4.47Å; Q727-L782 HydrophobicContact CG-CD1 4.17Å; Q727-L782 HydrophobicContact CG-CD2 3.95Å; V730-L782 HydrophobicContact CB-CD2 4.16Å; V730-L782 HydrophobicContact CG1-CD2 3.99Å; V730-L782 HydrophobicContact CG2-CB 4.21Å; V730-L782 HydrophobicContact CG2-CD2 4.42Å; L770-L782 HydrophobicContact CD1-CB 4.2Å; L770-L782 HydrophobicContact CD2-CB 3.97Å; L770-L782 HydrophobicContact CD2-CD1 4.31Å; K778-L782 WeakPolarHBondContact O-CB 3.27Å; K778-L782 VanDerWaalsContact O-CG 3.27Å; K778-L782 WeakPolarHBondContact O-CG 3.4Å; K778-L782 PolarHBondContact O-N 2.83Å; N779-L782 PolarHBondContact O-N 3.34Å; L782-K784 VanDerWaalsContact C-N 3.34Å; L782-K784 PolarHBondContact O-N 2.77Å; L782-K785 PolarHBondContact O-N 3.48Å; L782-L786 WeakPolarHBondContact O-CB 3.26Å; L782-L786 PolarHBondContact O-N 3.03Å |
| 783 | A | 82.7 | Confident | 79 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L770 E771 N779 L786 R787 | L770-A783 HydrophobicContact CB-CB 3.88Å; E771-A783 HydrophobicContact CG-CB 4.24Å; N779-A783 WeakPolarHBondContact O-CB 3.24Å; N779-A783 PolarHBondContact O-N 3.37Å; A783-L786 PolarHBondContact O-N 2.88Å; A783-R787 WeakPolarHBondContact O-CB 3.31Å; A783-R787 PolarHBondContact O-N 3.48Å |
| 784 | K | 84.4 | Confident | 79.3 | Confident | 133 Ų | 133 | 73.8 Ų | 73.8 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 175.8 | -75.4 | 174.9 | -177.1 | 173.5 | 0 | 112.3 | L780 L781 L782 S788 | L780-K784 WeakPolarHBondContact O-CB 3.43Å; L780-K784 WeakPolarHBondContact O-CG 3.26Å; L780-K784 PolarHBondContact O-N 2.96Å; L781-K784 PolarHBondContact O-N 2.93Å; L782-K784 VanDerWaalsContact C-N 3.34Å; L782-K784 PolarHBondContact O-N 2.77Å; K784-S788 WeakPolarHBondContact O-CB 3.29Å; K784-S788 PolarHBondContact O-N 3.03Å; K784-S788 PolarHBondContact O-OG 2.77Å |
| 785 | K | 86.1 | Confident | 79.6 | Confident | 88 Ų | 88 | 74.9 Ų | 74.9 | 38% | 0.383 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 176.7 | -171.5 | -175 | 179 | -168.9 | 0 | 110.6 | V730 D731 V734 L781 L782 S788 S789 | V730-K785 HydrophobicContact CG1-CD 4.42Å; D731-K785 IonicContact OD1-NZ 2.69Å; D731-K785 PolarHBondContact OD1-NZ 2.8Å; V734-K785 HydrophobicContact CG2-CD 4.44Å; V734-K785 HydrophobicContact CG2-CG 4.32Å; L781-K785 WeakPolarHBondContact O-CB 3.41Å; L781-K785 PolarHBondContact O-N 2.81Å; L782-K785 PolarHBondContact O-N 3.48Å; K785-S788 PolarHBondContact O-N 2.76Å; K785-S788 PolarHBondContact O-OG 3.46Å; K785-S789 PolarHBondContact O-N 2.99Å |
| 786 | L | 84.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 178.1 | -166.9 | 72.5 | 0 | 0 | 0 | 110.9 | V730 V733 V763 L766 L767 L770 L782 A783 S788 S789 V790 | V730-L786 HydrophobicContact CG1-CB 4.32Å; V730-L786 HydrophobicContact CG1-CD1 4.21Å; V730-L786 HydrophobicContact CG2-CB 4.5Å; V730-L786 HydrophobicContact CG2-CD1 4.38Å; V730-L786 HydrophobicContact CG2-CD2 4.48Å; V733-L786 HydrophobicContact CB-CD1 3.64Å; V733-L786 HydrophobicContact CG1-CD1 3.54Å; V733-L786 HydrophobicContact CG2-CD1 4.31Å; V763-L786 HydrophobicContact CG1-CD2 4.28Å; L766-L786 HydrophobicContact CB-CD2 4.3Å; L766-L786 HydrophobicContact CD2-CD2 3.67Å; L767-L786 HydrophobicContact CB-CD2 4.36Å; L767-L786 HydrophobicContact CD1-CD2 3.76Å; L767-L786 HydrophobicContact CD1-CG 4.09Å; L767-L786 HydrophobicContact CG-CD2 3.85Å; L770-L786 HydrophobicContact CD1-CD2 4.35Å; L782-L786 WeakPolarHBondContact O-CB 3.26Å; L782-L786 PolarHBondContact O-N 3.03Å; A783-L786 PolarHBondContact O-N 2.88Å; L786-S788 VanDerWaalsContact C-N 3.3Å; L786-S788 PolarHBondContact O-N 3.1Å; L786-S789 PolarHBondContact O-N 2.95Å; L786-V790 HydrophobicContact CD1-CG2 4.29Å; L786-V790 HydrophobicContact CG-CG2 4.11Å; L786-V790 VanDerWaalsContact O-CB 3.32Å; L786-V790 WeakPolarHBondContact O-CB 3.39Å; L786-V790 VanDerWaalsContact O-CG2 3.23Å; L786-V790 WeakPolarHBondContact O-CG2 3.22Å; L786-V790 PolarHBondContact O-N 3.02Å |
| 787 | R | 84.2 | Confident | 78.9 | Confident | 134 Ų | 134 | 66.3 Ų | 66.3 | 51% | 0.506 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -53.9 | -47.4 | 173.8 | -111.4 | 174.2 | -157 | -130.6 | 7.2 | 111 | L767 E771 A783 S789 V790 T791 | L767-R787 HydrophobicContact CD1-CG 4.4Å; L767-R787 HydrophobicContact CD2-CG 3.86Å; E771-R787 IonicContact OE1-CZ 2.77Å; E771-R787 IonicContact OE1-NE 3.23Å; E771-R787 PolarHBondContact OE1-NE 2.83Å; E771-R787 IonicContact OE1-NH2 3.08Å; E771-R787 PolarHBondContact OE1-NH2 3.34Å; E771-R787 IonicContact OE2-NH2 3.74Å; E771-R787 PolarHBondContact OE2-NH2 2.86Å; A783-R787 WeakPolarHBondContact O-CB 3.31Å; A783-R787 PolarHBondContact O-N 3.48Å; R787-S789 VanDerWaalsContact C-N 3.34Å; R787-S789 PolarHBondContact O-N 3.31Å; R787-V790 PolarHBondContact O-N 2.97Å; R787-T791 VanDerWaalsContact O-CB 3.23Å; R787-T791 WeakPolarHBondContact O-CB 3.49Å; R787-T791 PolarHBondContact O-N 3.28Å; R787-T791 PolarHBondContact O-OG1 2.96Å |
| 788 | S | 82.9 | Confident | 77.7 | Confident | 73 Ų | 73 | 62 Ų | 62 | 51% | 0.51 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | -178.8 | 75.2 | 0 | 0 | 0 | 0 | 112.4 | K784 K785 L786 S792 | K784-S788 WeakPolarHBondContact O-CB 3.29Å; K784-S788 PolarHBondContact O-N 3.03Å; K784-S788 PolarHBondContact O-OG 2.77Å; K785-S788 PolarHBondContact O-N 2.76Å; K785-S788 PolarHBondContact O-OG 3.46Å; L786-S788 VanDerWaalsContact C-N 3.3Å; L786-S788 PolarHBondContact O-N 3.1Å; S788-S792 VanDerWaalsContact O-CB 3.25Å; S788-S792 WeakPolarHBondContact O-CB 3.31Å; S788-S792 PolarHBondContact O-N 3.5Å |
| 789 | S | 81.5 | Confident | 76.2 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.4 | -40.7 | -178.8 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | C737 K785 L786 R787 S792 Y793 | C737-S789 WeakPolarHBondContact CB-OG 3.39Å; K785-S789 PolarHBondContact O-N 2.99Å; L786-S789 PolarHBondContact O-N 2.95Å; R787-S789 VanDerWaalsContact C-N 3.34Å; R787-S789 PolarHBondContact O-N 3.31Å; S789-S792 WeakPolarHBondContact O-CB 3.35Å; S789-S792 PolarHBondContact O-N 2.92Å; S789-Y793 WeakPolarHBondContact O-CB 3.44Å; S789-Y793 PolarHBondContact O-N 2.62Å |
| 790 | V | 80.7 | Confident | 74.8 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V733 L758 V763 L786 R787 Y793 Y794 | V733-V790 HydrophobicContact CG1-CG2 4.4Å; L758-V790 HydrophobicContact CD2-CG2 4Å; V763-V790 HydrophobicContact CG1-CG2 3.78Å; L786-V790 HydrophobicContact CD1-CG2 4.29Å; L786-V790 HydrophobicContact CG-CG2 4.11Å; L786-V790 VanDerWaalsContact O-CB 3.32Å; L786-V790 WeakPolarHBondContact O-CB 3.39Å; L786-V790 VanDerWaalsContact O-CG2 3.23Å; L786-V790 WeakPolarHBondContact O-CG2 3.22Å; L786-V790 PolarHBondContact O-N 3.02Å; R787-V790 PolarHBondContact O-N 2.97Å; V790-Y793 WeakPolarHBondContact O-CB 3.48Å; V790-Y793 PolarHBondContact O-N 2.76Å; V790-Y794 HydrophobicContact CG1-CD2 3.55Å; V790-Y794 HydrophobicContact CG1-CE2 3.57Å; V790-Y794 VanDerWaalsContact O-CD2 3.25Å; V790-Y794 WeakPolarHBondContact O-CD2 3.21Å; V790-Y794 PolarHBondContact O-N 2.79Å |
| 791 | T | 79.4 | Confident | 72.9 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 175.5 | -44.4 | 0 | 0 | 0 | 0 | 110.3 | R787 Y793 Y794 D795 | R787-T791 VanDerWaalsContact O-CB 3.23Å; R787-T791 WeakPolarHBondContact O-CB 3.49Å; R787-T791 PolarHBondContact O-N 3.28Å; R787-T791 PolarHBondContact O-OG1 2.96Å; T791-Y793 VanDerWaalsContact C-N 3.34Å; T791-Y793 PolarHBondContact O-N 3.05Å; T791-Y794 PolarHBondContact O-N 3.48Å; T791-D795 VanDerWaalsContact O-CB 3.29Å; T791-D795 WeakPolarHBondContact O-CB 3.27Å; T791-D795 PolarHBondContact O-N 3.46Å |
| 792 | S | 78.4 | Confident | 70.8 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 172.2 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | S788 S789 T796 | S788-S792 VanDerWaalsContact O-CB 3.25Å; S788-S792 WeakPolarHBondContact O-CB 3.31Å; S788-S792 PolarHBondContact O-N 3.5Å; S789-S792 WeakPolarHBondContact O-CB 3.35Å; S789-S792 PolarHBondContact O-N 2.92Å; S792-T796 WeakPolarHBondContact O-CB 3.47Å; S792-T796 WeakPolarHBondContact O-CG2 3.3Å; S792-T796 PolarHBondContact O-N 2.94Å; S792-T796 VanDerWaalsContact O-N 3.16Å; S792-T796 PolarHBondContact O-OG1 3.42Å |
| 793 | Y | 76.6 | Confident | 68.4 | Low | 22 Ų | 22 | 78.5 Ų | 78.5 | 9% | 0.086 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 174.4 | 178.2 | -98.2 | 0 | 0 | 0 | 111.6 | A740 L758 S789 V790 T791 T796 V797 | A740-Y793 HydrophobicContact CB-CD2 4.15Å; A740-Y793 HydrophobicContact CB-CE2 3.66Å; L758-Y793 HydrophobicContact CB-CE1 4.3Å; L758-Y793 HydrophobicContact CD1-CD1 4.35Å; L758-Y793 HydrophobicContact CD1-CE1 4.26Å; L758-Y793 HydrophobicContact CD1-CE2 4.45Å; L758-Y793 HydrophobicContact CD1-CG 4.47Å; S789-Y793 WeakPolarHBondContact O-CB 3.44Å; S789-Y793 PolarHBondContact O-N 2.62Å; V790-Y793 WeakPolarHBondContact O-CB 3.48Å; V790-Y793 PolarHBondContact O-N 2.76Å; T791-Y793 VanDerWaalsContact C-N 3.34Å; T791-Y793 PolarHBondContact O-N 3.05Å; Y793-T796 PolarHBondContact O-N 3.38Å; Y793-T796 PolarHBondContact O-OG1 3.39Å; Y793-V797 HydrophobicContact CD1-CG2 4.22Å; Y793-V797 HydrophobicContact CD2-CG2 4.24Å; Y793-V797 HydrophobicContact CE1-CG2 3.95Å; Y793-V797 HydrophobicContact CE2-CG2 3.97Å; Y793-V797 HydrophobicContact CG-CG2 4.37Å; Y793-V797 VanDerWaalsContact O-CB 3.3Å; Y793-V797 WeakPolarHBondContact O-CB 3.46Å; Y793-V797 WeakPolarHBondContact O-CG2 3.31Å; Y793-V797 PolarHBondContact O-N 3.29Å |
| 794 | Y | 77.1 | Confident | 65.7 | Low | 90 Ų | 90 | 86.1 Ų | 86.1 | 35% | 0.353 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -73.7 | -34.6 | -179.8 | -81 | -64.8 | 0 | 0 | 0 | 114.5 | N760 V790 T791 T796 V797 S798 | N760-Y794 PolarHBondContact ND2-OH 2.97Å; N760-Y794 PolarHBondContact OD1-OH 3.15Å; V790-Y794 HydrophobicContact CG1-CD2 3.55Å; V790-Y794 HydrophobicContact CG1-CE2 3.57Å; V790-Y794 VanDerWaalsContact O-CD2 3.25Å; V790-Y794 WeakPolarHBondContact O-CD2 3.21Å; V790-Y794 PolarHBondContact O-N 2.79Å; T791-Y794 PolarHBondContact O-N 3.48Å; Y794-T796 VanDerWaalsContact C-N 3.27Å; Y794-T796 PolarHBondContact O-N 3.26Å; Y794-V797 PolarHBondContact O-N 2.9Å; Y794-S798 WeakPolarHBondContact O-CB 3.34Å; Y794-S798 PolarHBondContact O-N 2.68Å; Y794-S798 PolarHBondContact O-OG 3.14Å |
| 795 | D | 69.6 | Low | 63.6 | Low | 99 Ų | 99 | 84.4 Ų | 84.4 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.1 | -33.8 | 175.6 | -81.4 | -14.7 | 0 | 0 | 0 | 111.3 | T791 S798 | T791-D795 VanDerWaalsContact O-CB 3.29Å; T791-D795 WeakPolarHBondContact O-CB 3.27Å; T791-D795 PolarHBondContact O-N 3.46Å; D795-S798 PolarHBondContact O-OG 3.4Å |
| 796 | T | 64.6 | Low | 60.9 | Low | 55 Ų | 55 | 84.3 Ų | 84.3 | 34% | 0.337 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.8 | -39.2 | 174.3 | 50.5 | 0 | 0 | 0 | 0 | 112.2 | L741 S792 Y793 Y794 | L741-T796 HydrophobicContact CD2-CG2 4.05Å; L741-T796 VanDerWaalsContact CD2-OG1 3.31Å; L741-T796 WeakPolarHBondContact CD2-OG1 3.04Å; S792-T796 WeakPolarHBondContact O-CB 3.47Å; S792-T796 WeakPolarHBondContact O-CG2 3.3Å; S792-T796 PolarHBondContact O-N 2.94Å; S792-T796 VanDerWaalsContact O-N 3.16Å; S792-T796 PolarHBondContact O-OG1 3.42Å; Y793-T796 PolarHBondContact O-N 3.38Å; Y793-T796 PolarHBondContact O-OG1 3.39Å; Y794-T796 VanDerWaalsContact C-N 3.27Å; Y794-T796 PolarHBondContact O-N 3.26Å |
| 797 | V | 63.9 | Low | 58.1 | Low | 29 Ų | 29 | 90.9 Ų | 90.9 | 18% | 0.176 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 177 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | Y793 Y794 R799 D800 V801 | Y793-V797 HydrophobicContact CD1-CG2 4.22Å; Y793-V797 HydrophobicContact CD2-CG2 4.24Å; Y793-V797 HydrophobicContact CE1-CG2 3.95Å; Y793-V797 HydrophobicContact CE2-CG2 3.97Å; Y793-V797 HydrophobicContact CG-CG2 4.37Å; Y793-V797 VanDerWaalsContact O-CB 3.3Å; Y793-V797 WeakPolarHBondContact O-CB 3.46Å; Y793-V797 WeakPolarHBondContact O-CG2 3.31Å; Y793-V797 PolarHBondContact O-N 3.29Å; Y794-V797 PolarHBondContact O-N 2.9Å; V797-R799 VanDerWaalsContact C-N 3.32Å; V797-R799 PolarHBondContact O-N 3.26Å; V797-D800 PolarHBondContact O-N 3.17Å; V797-D800 VanDerWaalsContact O-N 3.17Å; V797-V801 HydrophobicContact CG1-CG2 4.42Å; V797-V801 VanDerWaalsContact O-CG2 3.31Å; V797-V801 WeakPolarHBondContact O-CG2 3.35Å |
| 798 | S | 52 | Low | 55.5 | Low | 69 Ų | 69 | 90.9 Ų | 90.9 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -20.3 | -174.9 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | Y794 D795 D800 | Y794-S798 WeakPolarHBondContact O-CB 3.34Å; Y794-S798 PolarHBondContact O-N 2.68Å; Y794-S798 PolarHBondContact O-OG 3.14Å; D795-S798 PolarHBondContact O-OG 3.4Å; S798-D800 VanDerWaalsContact C-N 3.27Å; S798-D800 PolarHBondContact O-N 3.48Å |
| 799 | R | 46.2 | Very low | 53 | Low | 212 Ų | 212 | 93 Ų | 93 | 80% | 0.8 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -18.4 | 172.3 | -77.3 | -176 | 179.3 | 174.9 | 2.7 | 113.8 | V797 | V797-R799 VanDerWaalsContact C-N 3.32Å; V797-R799 PolarHBondContact O-N 3.26Å |
| 800 | D | 48.8 | Very low | 50.3 | Low | 105 Ų | 105 | 102.9 Ų | 102.9 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -98.9 | -10 | -176.2 | -64.1 | -26 | 0 | 0 | 0 | 114 | R744 V797 S798 I802 | R744-D800 IonicContact CZ-OD2 2.61Å; R744-D800 IonicContact NH1-OD2 3.47Å; R744-D800 PolarHBondContact NH1-OD2 2.91Å; V797-D800 PolarHBondContact O-N 3.17Å; V797-D800 VanDerWaalsContact O-N 3.17Å; S798-D800 VanDerWaalsContact C-N 3.27Å; S798-D800 PolarHBondContact O-N 3.48Å; D800-I802 PolarHBondContact O-N 2.81Å; D800-I802 VanDerWaalsContact O-N 3.08Å |
| 801 | V | 43.8 | Very low | 47.8 | Very low | 113 Ų | 113 | 108.7 Ų | 108.7 | 69% | 0.685 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 16.9 | -171 | -167.1 | 0 | 0 | 0 | 0 | 113.7 | V797 | V797-V801 HydrophobicContact CG1-CG2 4.42Å; V797-V801 VanDerWaalsContact O-CG2 3.31Å; V797-V801 WeakPolarHBondContact O-CG2 3.35Å |
| 802 | I | 37.6 | Very low | 45.3 | Very low | 138 Ų | 138 | 111.7 Ų | 111.7 | 71% | 0.708 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -20 | -175.1 | -66.1 | 179.1 | 0 | 0 | 0 | 114.4 | D800 | D800-I802 PolarHBondContact O-N 2.81Å; D800-I802 VanDerWaalsContact O-N 3.08Å |
| 803 | D | 32.1 | Very low | 43 | Very low | 138 Ų | 138 | 114.3 Ų | 114.3 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -133.4 | 103.3 | -177.8 | -70.7 | -42.3 | 0 | 0 | 0 | 112.1 | ||
| 804 | D | 26.5 | Very low | 40.5 | Very low | 164 Ų | 164 | 119.3 Ų | 119.3 | 88% | 0.877 | 66% | 0.657 | S | S | * | * | trans | 58.8 | 150.1 | 140.2 | -80 | -27.6 | 0 | 0 | 0 | 123.3 | ||||
| 805 | A | 40.4 | Very low | 38.1 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 68% | 0.678 | S | S | * | * | trans | 81.4 | 59.4 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 806 | A | 27.9 | Very low | 36.1 | Very low | 86 Ų | 86 | 119 Ų | 119 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | trans | -13.6 | 125.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 807 | N | 27 | Very low | 34.3 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | trans | 73.5 | 99.8 | 137 | -60.6 | -19.4 | 0 | 0 | 0 | 120.7 | ||||
| 808 | V | 29.4 | Very low | 32.5 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | -140.9 | 104.5 | 154 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 809 | T | 29.5 | Very low | 31.4 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | 55.9 | 110.9 | 93.5 | 25.3 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 810 | Y | 25.7 | Very low | 30.5 | Very low | 219 Ų | 219 | 132.7 Ų | 132.7 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | trans | 22 | 126.9 | 134.4 | -90 | -98.5 | 0 | 0 | 0 | 119.8 | ||||
| 811 | L | 27.8 | Very low | 29.7 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | 173.5 | 117.2 | 138.5 | -110.2 | 108.9 | 0 | 0 | 0 | 108.7 | A751 | A751-L811 WeakPolarHBondContact CB-O 3.45Š| ||
| 812 | L | 27.6 | Very low | 28.9 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | 88.4 | 130.5 | 92.5 | -112.9 | 108.8 | 0 | 0 | 0 | 114.9 | |||||
| 813 | V | 28.6 | Very low | 28.5 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | trans | 98.1 | 102.2 | 142.3 | -176.8 | 0 | 0 | 0 | 0 | 119.1 | V815 | V813-V815 HydrophobicContact CG1-CG2 4.02Å; V813-V815 PolarHBondContact O-N 3.46Å | ||
| 814 | C | 24 | Very low | 28.4 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 86% | 0.858 | 76% | 0.758 | S | S | * | * | trans | -35.7 | 119.4 | 142.9 | -52.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 815 | V | 28 | Very low | 28.4 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -149.6 | 130.3 | 148.5 | 175.6 | 0 | 0 | 0 | 0 | 109 | V813 | V813-V815 HydrophobicContact CG1-CG2 4.02Å; V813-V815 PolarHBondContact O-N 3.46Å | ||
| 816 | G | 27.8 | Very low | 27.8 | Very low | 51 Ų | 51 | 137 Ų | 137 | 53% | 0.526 | 75% | 0.751 | S | S | . | * | trans | 88.2 | 101.4 | 139.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 817 | L | 25.2 | Very low | 27.8 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | 69.8 | 131.1 | 87.7 | -81.9 | 150.9 | 0 | 0 | 0 | 111.6 | |||||
| 818 | F | 26.1 | Very low | 27.9 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | trans | 95.1 | 114.3 | 142 | -101.9 | -120.6 | 0 | 0 | 0 | 117.1 | ||||
| 819 | L | 29.3 | Very low | 27.8 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | trans | 86.2 | 131.1 | 144.4 | -53.7 | 165.9 | 0 | 0 | 0 | 113.4 | ||||
| 820 | R | 28.6 | Very low | 27.6 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | cis | -177.3 | 150.5 | 19.4 | -124.8 | 170.7 | 176.2 | 162.4 | -4 | 107.2 | ||||
| 821 | V | 30 | Very low | 27.5 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | trans | 92.8 | 93.4 | 140.4 | 177.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 822 | N | 28.9 | Very low | 27.3 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | 80.2 | 99.6 | 124.5 | -73 | -10.7 | 0 | 0 | 0 | 120.5 | |||||
| 823 | R | 27.9 | Very low | 27.1 | Very low | 235 Ų | 235 | 130.5 Ų | 130.5 | 89% | 0.887 | 73% | 0.728 | S | S | * | * | 145.7 | 109.7 | 106.7 | -89.7 | 170.4 | 177.7 | -175.7 | -0 | 110.5 | |||||
| 824 | V | 29.4 | Very low | 26.9 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | trans | 173.4 | 136.5 | 130.4 | 165.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 825 | A | 27.5 | Very low | 26.8 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | trans | -63.7 | 161 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 826 | P | 28.4 | Very low | 26.6 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | -134 | 126 | 107.1 | 31 | -16.6 | 0 | 0 | 0 | 112 | |||||
| 827 | Q | 28.2 | Very low | 26.4 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -83.5 | 135 | 170 | -94.1 | -169.5 | -24.8 | 0 | 0 | 110.7 | ||||
| 828 | V | 27.4 | Very low | 26.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | 66.9 | 117.8 | 120.7 | -174.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 829 | G | 28.3 | Very low | 26 | Very low | 39 Ų | 39 | 135.9 Ų | 135.9 | 40% | 0.402 | 73% | 0.727 | S | S | . | * | 117.5 | 131.9 | 74.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | K983 | G829-K983 PolarHBondContact O-NZ 3.24Š| |||
| 830 | S | 25.1 | Very low | 25.7 | Very low | 95 Ų | 95 | 134 Ų | 134 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | 86.3 | 103.6 | 85.3 | 66.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 831 | S | 23.4 | Very low | 25.4 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | 71.7 | 153.9 | 79.3 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 832 | L | 24.5 | Very low | 25 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | 81.4 | 108.5 | 167.6 | -76.4 | 121.7 | 0 | 0 | 0 | 115.2 | ||||
| 833 | H | 23.4 | Very low | 24.7 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 75% | 0.75 | 72% | 0.718 | S | S | * | * | 88.4 | 139.6 | 71.8 | -99.8 | -63.9 | 0 | 0 | 0 | 111.6 | |||||
| 834 | V | 22.8 | Very low | 24.4 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 62% | 0.624 | 71% | 0.712 | S | S | * | * | trans | 91.1 | 110.1 | 135.4 | 164.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 835 | F | 22.3 | Very low | 24 | Very low | 199 Ų | 199 | 128.1 Ų | 128.1 | 87% | 0.873 | 70% | 0.703 | S | S | * | * | trans | 48.8 | 125.3 | 131.7 | -65.8 | -100.9 | 0 | 0 | 0 | 117.7 | ||||
| 836 | G | 24 | Very low | 23.8 | Very low | 57 Ų | 57 | 134.4 Ų | 134.4 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | 141 | 122.1 | 108.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 837 | I | 23.2 | Very low | 23.5 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | trans | 75 | 94.9 | 133.8 | -54 | 163 | 0 | 0 | 0 | 110.9 | ||||
| 838 | D | 21.9 | Very low | 23.2 | Very low | 132 Ų | 132 | 134 Ų | 134 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | 62.1 | 141.2 | 81.6 | -161.7 | 23.7 | 0 | 0 | 0 | 111 | |||||
| 839 | R | 22.1 | Very low | 23 | Very low | 202 Ų | 202 | 134.9 Ų | 134.9 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | 82.7 | 94.1 | 170.4 | -61.1 | -178.7 | -176.5 | -167.1 | -3.4 | 116.1 | ||||
| 840 | S | 21.7 | Very low | 22.8 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 57% | 0.573 | 70% | 0.698 | S | S | * | * | 90.7 | 141.7 | 73.7 | 68.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 841 | H | 22.6 | Very low | 22.9 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 83% | 0.829 | 70% | 0.703 | S | S | * | * | trans | 74.9 | 137.4 | 152 | -65.4 | -57 | 0 | 0 | 0 | 115.9 | ||||
| 842 | A | 22.7 | Very low | 23.1 | Very low | 62 Ų | 62 | 139.7 Ų | 139.7 | 51% | 0.512 | 69% | 0.688 | S | S | . | * | cis | 170.7 | 161.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 843 | L | 22.4 | Very low | 23.5 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 73% | 0.728 | 67% | 0.667 | S | S | * | * | trans | 71.6 | 137.4 | 150.5 | -61.4 | 143.1 | 0 | 0 | 0 | 114.3 | ||||
| 844 | R | 21.5 | Very low | 24 | Very low | 202 Ų | 202 | 129.2 Ų | 129.2 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | cis | -163.3 | 127.2 | 18.3 | -121.1 | 157.7 | 170.5 | 169.4 | -3.4 | 104 | ||||
| 845 | L | 21 | Very low | 24.5 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 73% | 0.728 | 62% | 0.624 | S | S | * | * | 62 | 123.4 | 88.1 | -78 | 157.6 | 0 | 0 | 0 | 114 | |||||
| 846 | Y | 23.1 | Very low | 24.9 | Very low | 212 Ų | 212 | 118.7 Ų | 118.7 | 83% | 0.831 | 59% | 0.588 | S | S | * | * | trans | 139.3 | 97.9 | 150 | -87.8 | -79.3 | 0 | 0 | 0 | 107.7 | ||||
| 847 | M | 20.9 | Very low | 25.3 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 70% | 0.7 | 58% | 0.579 | S | S | * | * | 41 | 98.6 | 71.8 | -79.5 | -161.8 | 176.9 | 0 | 0 | 112.1 | |||||
| 848 | E | 22.4 | Very low | 25.7 | Very low | 155 Ų | 155 | 115 Ų | 115 | 72% | 0.724 | 56% | 0.555 | S | S | * | * | 176.9 | 143 | 106.5 | -101.1 | 170.6 | 172.2 | 0 | 0 | 111.2 | |||||
| 849 | E | 23.5 | Very low | 26.3 | Very low | 136 Ų | 136 | 112.6 Ų | 112.6 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | trans | 67.9 | 125.5 | 142.2 | -64.5 | -179.6 | 179.3 | 0 | 0 | 123.5 | Q870 | E849-Q870 PolarHBondContact OE2-NE2 2.88Å; E849-Q870 VanDerWaalsContact OE2-NE2 3.09Å | ||
| 850 | A | 23.5 | Very low | 27 | Very low | 53 Ų | 53 | 108.7 Ų | 108.7 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | 69 | 112.8 | 124.3 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 851 | W | 27.8 | Very low | 27.8 | Very low | 206 Ų | 206 | 107.1 Ų | 107.1 | 78% | 0.78 | 54% | 0.535 | S | S | * | . | trans | 50.4 | 108.9 | 136.2 | -59 | 76.4 | 0 | 0 | 0 | 118.6 | R869 | W851-R869 WeakPolarHBondContact O-CB 3.49Š| ||
| 852 | M | 27.2 | Very low | 29 | Very low | 73 Ų | 73 | 101.9 Ų | 101.9 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | trans | -130.4 | 90.6 | -170.3 | -80.6 | -75 | -101.8 | 0 | 0 | 115.9 | L854 N868 R869 F874 | M852-L854 HydrophobicContact CE-CD2 3.62Å; M852-L854 HydrophobicContact SD-CD2 4.39Å; M852-N868 HydrophobicContact CE-CB 3.01Å; M852-N868 HydrophobicContact CG-CB 4.46Å; M852-N868 WeakPolarHBondContact SD-CA 3.45Å; M852-N868 HydrophobicContact SD-CB 3.15Å; M852-N868 WeakPolarHBondContact SD-CB 3.01Å; M852-R869 PolarHBondContact SD-N 3.14Å; M852-F874 HydrophobicContact CE-CB 4.21Å; M852-F874 HydrophobicContact CE-CD2 3.18Å; M852-F874 HydrophobicContact CE-CE2 3.5Å; M852-F874 HydrophobicContact CE-CG 3.86Å; M852-F874 HydrophobicContact CE-CZ 4.45Å | ||
| 853 | N | 33.4 | Very low | 30 | Very low | 55 Ų | 55 | 101.9 Ų | 101.9 | 29% | 0.294 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 124.3 | 144.7 | -66.1 | -24.7 | 0 | 0 | 0 | 106.8 | ||
| 854 | L | 34.7 | Very low | 31.1 | Very low | 28 Ų | 28 | 96.7 Ų | 96.7 | 15% | 0.147 | 48% | 0.476 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 123.2 | -176.6 | -64.5 | 167.1 | 0 | 0 | 0 | 110.2 | M852 V866 F874 | M852-L854 HydrophobicContact CE-CD2 3.62Å; M852-L854 HydrophobicContact SD-CD2 4.39Å; L854-V866 HydrophobicContact CB-CG1 4.23Å; L854-V866 HydrophobicContact CD2-CG1 3.72Å; L854-V866 HydrophobicContact CG-CG1 4.37Å; L854-F874 HydrophobicContact CD2-CD1 4.06Å; L854-F874 HydrophobicContact CD2-CD2 4.49Å; L854-F874 HydrophobicContact CD2-CE1 4.08Å; L854-F874 HydrophobicContact CD2-CE2 4.45Å; L854-F874 HydrophobicContact CD2-CG 4.25Å; L854-F874 HydrophobicContact CD2-CZ 4.24Å |
| 855 | L | 32.8 | Very low | 32.1 | Very low | 62 Ų | 62 | 87.3 Ų | 87.3 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.5 | 171.2 | -84.6 | 155.4 | 0 | 0 | 0 | 108.6 | Y867 L1205 | L855-Y867 PolarHBondContact N-O 3.37Å; L855-Y867 PolarHBondContact O-N 2.95Å; L855-L1205 HydrophobicContact CD2-CD2 3.97Å |
| 856 | T | 31.1 | Very low | 33.2 | Very low | 19 Ų | 19 | 81.2 Ų | 81.2 | 12% | 0.117 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.1 | 168.9 | 57.6 | 0 | 0 | 0 | 0 | 109.3 | V864 V866 A1203 V1204 | T856-V864 HydrophobicContact CG2-CG1 4.18Å; T856-V866 HydrophobicContact CG2-CG2 4.3Å; T856-A1203 WeakPolarHBondContact O-CB 3.42Å; T856-A1203 WeakPolarHBondContact OG1-CB 3.43Å; T856-V1204 WeakPolarHBondContact CG2-O 3.43Å; T856-V1204 VanDerWaalsContact OG1-C 3.26Å; T856-V1204 PolarHBondContact OG1-N 2.78Å; T856-V1204 PolarHBondContact OG1-O 3.13Å |
| 857 | F | 32.1 | Very low | 34.1 | Very low | 90 Ų | 90 | 73.8 Ų | 73.8 | 40% | 0.395 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.1 | 170.1 | -99.1 | -91.7 | 0 | 0 | 0 | 107.7 | T865 Y867 Y1179 | F857-T865 PolarHBondContact N-O 2.95Å; F857-T865 PolarHBondContact O-N 3.47Å; F857-T865 PolarHBondContact O-OG1 3.46Å; F857-Y867 HydrophobicContact CB-CD2 4.18Å; F857-Y867 HydrophobicContact CB-CE2 3.73Å; F857-Y1179 HydrophobicContact CE2-CE2 4.28Å; F857-Y1179 HydrophobicContact CZ-CD2 4.45Å; F857-Y1179 HydrophobicContact CZ-CE1 4.33Å; F857-Y1179 HydrophobicContact CZ-CE2 4.09Å |
| 858 | C | 32 | Very low | 35 | Very low | 46 Ų | 46 | 67.8 Ų | 67.8 | 31% | 0.311 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 101.4 | 168.9 | -170 | 0 | 0 | 0 | 0 | 107.3 | N1202 | C858-N1202 HydrophobicContact CB-CB 3.99Å; C858-N1202 WeakPolarHBondContact CB-O 3.4Å |
| 859 | D | 33.9 | Very low | 35.5 | Very low | 83 Ų | 83 | 67.5 Ų | 67.5 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | trans | -85.5 | 174 | 165.4 | 77.1 | 6.1 | 0 | 0 | 0 | 109.8 | S861 | D859-S861 PolarHBondContact O-N 3.15Å; D859-S861 WeakPolarHBondContact OD1-CB 3.26Å; D859-S861 PolarHBondContact OD1-N 3.23Å; D859-S861 PolarHBondContact OD1-OG 2.85Å | ||
| 860 | S | 35.9 | Very low | 36 | Very low | 120 Ų | 120 | 64.5 Ų | 64.5 | 84% | 0.839 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 12.5 | -174.6 | 58.2 | 0 | 0 | 0 | 0 | 117.1 | ||
| 861 | S | 39.4 | Very low | 36.5 | Very low | 49 Ų | 49 | 64.6 Ų | 64.6 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 6.9 | -164 | 72.5 | 0 | 0 | 0 | 0 | 117.2 | D859 F863 | D859-S861 PolarHBondContact O-N 3.15Å; D859-S861 WeakPolarHBondContact OD1-CB 3.26Å; D859-S861 PolarHBondContact OD1-N 3.23Å; D859-S861 PolarHBondContact OD1-OG 2.85Å; S861-F863 VanDerWaalsContact C-N 3.28Å; S861-F863 WeakPolarHBondContact O-CD2 3.4Å; S861-F863 WeakPolarHBondContact O-CE2 3.39Å |
| 862 | N | 47.9 | Very low | 37 | Very low | 69 Ų | 69 | 60.4 Ų | 60.4 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 64.8 | 26.6 | -174.8 | -57.1 | -39.6 | 0 | 0 | 0 | 114 | T879 | N862-T879 WeakPolarHBondContact CA-OG1 3.4Å; N862-T879 PolarHBondContact O-N 3.46Å; N862-T879 PolarHBondContact O-OG1 3.41Å |
| 863 | F | 43.4 | Very low | 37.8 | Very low | 62 Ų | 62 | 60.6 Ų | 60.6 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.2 | 173.9 | -62.4 | -86.9 | 0 | 0 | 0 | 109.3 | S861 Q876 I877 K878 | S861-F863 VanDerWaalsContact C-N 3.28Å; S861-F863 WeakPolarHBondContact O-CD2 3.4Å; S861-F863 WeakPolarHBondContact O-CE2 3.39Å; F863-Q876 HydrophobicContact CD1-CB 4.14Å; F863-I877 CarbonylContact C-O 3.5Å; F863-I877 WeakPolarHBondContact CA-O 3.2Å; F863-K878 HydrophobicContact CD1-CB 3.92Å; F863-K878 HydrophobicContact CD1-CG 4.15Å; F863-K878 HydrophobicContact CE1-CB 3.79Å; F863-K878 HydrophobicContact CE1-CD 4.13Å; F863-K878 HydrophobicContact CE1-CG 3.71Å; F863-K878 HydrophobicContact CZ-CG 4.26Å |
| 864 | V | 46 | Very low | 38.3 | Very low | 30 Ų | 30 | 60.8 Ų | 60.8 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 101 | 159.5 | 171 | 0 | 0 | 0 | 0 | 105.6 | T856 I877 T879 | T856-V864 HydrophobicContact CG2-CG1 4.18Å; V864-I877 HydrophobicContact CB-CB 4.12Å; V864-I877 HydrophobicContact CG1-CD1 4.5Å; V864-I877 PolarHBondContact N-O 3.33Å; V864-I877 PolarHBondContact O-N 2.89Å; V864-T879 HydrophobicContact CG2-CG2 3.77Å |
| 865 | T | 43.2 | Very low | 38.8 | Very low | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.6 | 174.2 | 11.3 | 0 | 0 | 0 | 0 | 108.4 | F857 Y867 V873 D875 Q876 | F857-T865 PolarHBondContact N-O 2.95Å; F857-T865 PolarHBondContact O-N 3.47Å; F857-T865 PolarHBondContact O-OG1 3.46Å; T865-Y867 HydrophobicContact CG2-CE2 4.27Å; T865-Y867 WeakPolarHBondContact O-CD2 3.38Å; T865-Y867 WeakPolarHBondContact OG1-CE2 3.48Å; T865-Y867 PolarHBondContact OG1-OH 3.02Å; T865-V873 HydrophobicContact CG2-CG1 3.76Å; T865-V873 HydrophobicContact CG2-CG2 4.14Å; T865-D875 CarbonylContact C-O 3.56Å; T865-D875 WeakPolarHBondContact CA-O 3.19Å; T865-Q876 HydrophobicContact CG2-CG 3.38Å |
| 866 | V | 43.9 | Very low | 39.4 | Very low | 12 Ų | 12 | 64.3 Ų | 64.3 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.7 | 168.2 | -173 | 0 | 0 | 0 | 0 | 106.4 | L854 T856 V873 F874 D875 I877 | L854-V866 HydrophobicContact CB-CG1 4.23Å; L854-V866 HydrophobicContact CD2-CG1 3.72Å; L854-V866 HydrophobicContact CG-CG1 4.37Å; T856-V866 HydrophobicContact CG2-CG2 4.3Å; V866-V873 CarbonylContact O-C 3.59Å; V866-F874 HydrophobicContact CB-CB 4.25Å; V866-F874 HydrophobicContact CB-CD1 4.26Å; V866-F874 HydrophobicContact CG1-CB 4.06Å; V866-F874 HydrophobicContact CG1-CD1 3.74Å; V866-F874 HydrophobicContact CG1-CG 4.26Å; V866-F874 WeakPolarHBondContact O-CA 3.38Å; V866-F874 WeakPolarHBondContact O-CB 3.49Å; V866-F874 PolarHBondContact O-N 3.01Å; V866-D875 HydrophobicContact CB-CB 3.95Å; V866-D875 HydrophobicContact CG2-CB 3.9Å; V866-D875 PolarHBondContact N-O 3.25Å; V866-D875 PolarHBondContact O-N 3.37Å; V866-I877 HydrophobicContact CG2-CD1 4.26Å |
| 867 | Y | 41.1 | Very low | 40.1 | Very low | 56 Ų | 56 | 65 Ų | 65 | 22% | 0.22 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 147.8 | 179.4 | -67.8 | -89.8 | 0 | 0 | 0 | 110.9 | L855 F857 T865 E872 V873 | L855-Y867 PolarHBondContact N-O 3.37Å; L855-Y867 PolarHBondContact O-N 2.95Å; F857-Y867 HydrophobicContact CB-CD2 4.18Å; F857-Y867 HydrophobicContact CB-CE2 3.73Å; T865-Y867 HydrophobicContact CG2-CE2 4.27Å; T865-Y867 WeakPolarHBondContact O-CD2 3.38Å; T865-Y867 WeakPolarHBondContact OG1-CE2 3.48Å; T865-Y867 PolarHBondContact OG1-OH 3.02Å; Y867-E872 CarbonylContact C-O 3.43Å; Y867-E872 VanDerWaalsContact CA-O 3.28Å; Y867-E872 WeakPolarHBondContact CA-O 3.31Å; Y867-V873 HydrophobicContact CD1-CG2 4.19Å; Y867-V873 HydrophobicContact CE1-CG2 3.68Å |
| 868 | N | 40.5 | Very low | 40.6 | Very low | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.08 | 36% | 0.355 | C | S | . | . | trans | -80.9 | 165.4 | 169.2 | 82.8 | 2 | 0 | 0 | 0 | 112.4 | M852 Q870 G871 E872 | M852-N868 HydrophobicContact CE-CB 3.01Å; M852-N868 HydrophobicContact CG-CB 4.46Å; M852-N868 WeakPolarHBondContact SD-CA 3.45Å; M852-N868 HydrophobicContact SD-CB 3.15Å; M852-N868 WeakPolarHBondContact SD-CB 3.01Å; N868-Q870 PolarHBondContact ND2-OE1 2.8Å; N868-Q870 PolarHBondContact O-N 3.16Å; N868-Q870 VanDerWaalsContact OD1-CA 3.26Å; N868-Q870 WeakPolarHBondContact OD1-CA 3.49Å; N868-Q870 VanDerWaalsContact OD1-CB 3.28Å; N868-Q870 WeakPolarHBondContact OD1-CB 3.49Å; N868-Q870 PolarHBondContact OD1-N 3.28Å; N868-G871 PolarHBondContact O-N 2.71Å; N868-G871 PolarHBondContact OD1-N 2.68Å; N868-E872 PolarHBondContact N-O 3.43Å; N868-E872 WeakPolarHBondContact ND2-CB 3.06Å; N868-E872 PolarHBondContact ND2-OE2 3Å; N868-E872 WeakPolarHBondContact OD1-CA 3.26Å; N868-E872 WeakPolarHBondContact OD1-CB 3.3Å; N868-E872 PolarHBondContact OD1-N 2.92Å | ||
| 869 | R | 33.2 | Very low | 41 | Very low | 150 Ų | 150 | 66.6 Ų | 66.6 | 57% | 0.566 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -12.5 | 178.1 | -147 | -176.9 | -172.8 | -170.2 | 3.4 | 112.9 | W851 M852 | W851-R869 WeakPolarHBondContact O-CB 3.49Å; M852-R869 PolarHBondContact SD-N 3.14Å |
| 870 | Q | 33.8 | Very low | 41.2 | Very low | 72 Ų | 72 | 70 Ų | 70 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 1.7 | 175.2 | -59.6 | 163.3 | -37.8 | 0 | 0 | 113.1 | E849 N868 E872 | E849-Q870 PolarHBondContact OE2-NE2 2.88Å; E849-Q870 VanDerWaalsContact OE2-NE2 3.09Å; N868-Q870 PolarHBondContact ND2-OE1 2.8Å; N868-Q870 PolarHBondContact O-N 3.16Å; N868-Q870 VanDerWaalsContact OD1-CA 3.26Å; N868-Q870 WeakPolarHBondContact OD1-CA 3.49Å; N868-Q870 VanDerWaalsContact OD1-CB 3.28Å; N868-Q870 WeakPolarHBondContact OD1-CB 3.49Å; N868-Q870 PolarHBondContact OD1-N 3.28Å; Q870-E872 HydrophobicContact CB-CG 4.36Å |
| 871 | G | 33.3 | Very low | 41 | Very low | 56 Ų | 56 | 66.2 Ų | 66.2 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 81.3 | 8.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N868 | N868-G871 PolarHBondContact O-N 2.71Å; N868-G871 PolarHBondContact OD1-N 2.68Å |
| 872 | E | 37.9 | Very low | 40.4 | Very low | 117 Ų | 117 | 74.4 Ų | 74.4 | 55% | 0.547 | 37% | 0.368 | S | S | . | . | trans | -83.1 | 144.6 | 174.8 | -45.3 | -175.5 | 136.4 | 0 | 0 | 111.7 | Y867 N868 Q870 F874 | Y867-E872 CarbonylContact C-O 3.43Å; Y867-E872 VanDerWaalsContact CA-O 3.28Å; Y867-E872 WeakPolarHBondContact CA-O 3.31Å; N868-E872 PolarHBondContact N-O 3.43Å; N868-E872 WeakPolarHBondContact ND2-CB 3.06Å; N868-E872 PolarHBondContact ND2-OE2 3Å; N868-E872 WeakPolarHBondContact OD1-CA 3.26Å; N868-E872 WeakPolarHBondContact OD1-CB 3.3Å; N868-E872 PolarHBondContact OD1-N 2.92Å; Q870-E872 HydrophobicContact CB-CG 4.36Å; E872-F874 PolarHBondContact O-N 3Å | ||
| 873 | V | 44.1 | Very low | 39.3 | Very low | 78 Ų | 78 | 77.1 Ų | 77.1 | 47% | 0.473 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 109.7 | 178 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | T865 V866 Y867 Q876 | T865-V873 HydrophobicContact CG2-CG1 3.76Å; T865-V873 HydrophobicContact CG2-CG2 4.14Å; V866-V873 CarbonylContact O-C 3.59Å; Y867-V873 HydrophobicContact CD1-CG2 4.19Å; Y867-V873 HydrophobicContact CE1-CG2 3.68Å; V873-Q876 HydrophobicContact CG1-CG 3.86Å |
| 874 | F | 44.7 | Very low | 38.5 | Very low | 59 Ų | 59 | 81.6 Ų | 81.6 | 26% | 0.259 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -38.4 | 177.9 | -175.8 | -93.1 | 0 | 0 | 0 | 113 | M852 L854 V866 E872 M931 R1428 | M852-F874 HydrophobicContact CE-CB 4.21Å; M852-F874 HydrophobicContact CE-CD2 3.18Å; M852-F874 HydrophobicContact CE-CE2 3.5Å; M852-F874 HydrophobicContact CE-CG 3.86Å; M852-F874 HydrophobicContact CE-CZ 4.45Å; L854-F874 HydrophobicContact CD2-CD1 4.06Å; L854-F874 HydrophobicContact CD2-CD2 4.49Å; L854-F874 HydrophobicContact CD2-CE1 4.08Å; L854-F874 HydrophobicContact CD2-CE2 4.45Å; L854-F874 HydrophobicContact CD2-CG 4.25Å; L854-F874 HydrophobicContact CD2-CZ 4.24Å; V866-F874 HydrophobicContact CB-CB 4.25Å; V866-F874 HydrophobicContact CB-CD1 4.26Å; V866-F874 HydrophobicContact CG1-CB 4.06Å; V866-F874 HydrophobicContact CG1-CD1 3.74Å; V866-F874 HydrophobicContact CG1-CG 4.26Å; V866-F874 WeakPolarHBondContact O-CA 3.38Å; V866-F874 WeakPolarHBondContact O-CB 3.49Å; V866-F874 PolarHBondContact O-N 3.01Å; E872-F874 PolarHBondContact O-N 3Å; F874-M931 HydrophobicContact CE1-SD 4.39Å; F874-R1428 VanDerWaalsContact CE2-CZ 3.42Å |
| 875 | D | 44.4 | Very low | 37.6 | Very low | 61 Ų | 61 | 86.9 Ų | 86.9 | 33% | 0.326 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 160.4 | 176.4 | -162.5 | 5 | 0 | 0 | 0 | 111 | T865 V866 | T865-D875 CarbonylContact C-O 3.56Å; T865-D875 WeakPolarHBondContact CA-O 3.19Å; V866-D875 HydrophobicContact CB-CB 3.95Å; V866-D875 HydrophobicContact CG2-CB 3.9Å; V866-D875 PolarHBondContact N-O 3.25Å; V866-D875 PolarHBondContact O-N 3.37Å |
| 876 | Q | 45.6 | Very low | 36.7 | Very low | 103 Ų | 103 | 97.6 Ų | 97.6 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 96 | 177.7 | -81.8 | -176 | -5.3 | 0 | 0 | 110.3 | F863 T865 V873 K878 | F863-Q876 HydrophobicContact CD1-CB 4.14Å; T865-Q876 HydrophobicContact CG2-CG 3.38Å; V873-Q876 HydrophobicContact CG1-CG 3.86Å; Q876-K878 PolarHBondContact O-N 2.91Å |
| 877 | I | 45.7 | Very low | 35.9 | Very low | 32 Ų | 32 | 108.6 Ų | 108.6 | 16% | 0.164 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 105.5 | 176.9 | -56.8 | 167 | 0 | 0 | 0 | 108.4 | F863 V864 V866 T879 A933 | F863-I877 CarbonylContact C-O 3.5Å; F863-I877 WeakPolarHBondContact CA-O 3.2Å; V864-I877 HydrophobicContact CB-CB 4.12Å; V864-I877 HydrophobicContact CG1-CD1 4.5Å; V864-I877 PolarHBondContact N-O 3.33Å; V864-I877 PolarHBondContact O-N 2.89Å; V866-I877 HydrophobicContact CG2-CD1 4.26Å; I877-T879 PolarHBondContact O-N 2.84Å; I877-A933 HydrophobicContact CD1-CB 4.26Å; I877-A933 HydrophobicContact CG1-CB 4.35Å; I877-A933 HydrophobicContact CG2-CB 3.71Å |
| 878 | K | 42 | Very low | 35.3 | Very low | 133 Ų | 133 | 111.4 Ų | 111.4 | 58% | 0.578 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 114.7 | 178.3 | -167.9 | 175.8 | -174.9 | 178.3 | 0 | 111 | F863 Q876 | F863-K878 HydrophobicContact CD1-CB 3.92Å; F863-K878 HydrophobicContact CD1-CG 4.15Å; F863-K878 HydrophobicContact CE1-CB 3.79Å; F863-K878 HydrophobicContact CE1-CD 4.13Å; F863-K878 HydrophobicContact CE1-CG 3.71Å; F863-K878 HydrophobicContact CZ-CG 4.26Å; Q876-K878 PolarHBondContact O-N 2.91Å |
| 879 | T | 41.3 | Very low | 34.6 | Very low | 37 Ų | 37 | 119.4 Ų | 119.4 | 23% | 0.227 | 57% | 0.572 | C | S | . | * | trans | -85 | 131.1 | 169.2 | 54.5 | 0 | 0 | 0 | 0 | 108.7 | N862 V864 I877 G881 | N862-T879 WeakPolarHBondContact CA-OG1 3.4Å; N862-T879 PolarHBondContact O-N 3.46Å; N862-T879 PolarHBondContact O-OG1 3.41Å; V864-T879 HydrophobicContact CG2-CG2 3.77Å; I877-T879 PolarHBondContact O-N 2.84Å; T879-G881 PolarHBondContact O-N 3.25Å | ||
| 880 | F | 37.5 | Very low | 34.3 | Very low | 154 Ų | 154 | 116.3 Ų | 116.3 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | trans | -74.9 | 100.2 | -179.3 | -80.5 | -85.8 | 0 | 0 | 0 | 110.4 | Y882 | F880-Y882 PolarHBondContact O-N 2.97Š| ||
| 881 | G | 31.5 | Very low | 34 | Very low | 41 Ų | 41 | 120.2 Ų | 120.2 | 42% | 0.423 | 60% | 0.601 | S | S | . | * | trans | -75.5 | 103.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T879 I883 | T879-G881 PolarHBondContact O-N 3.25Å; G881-I883 VanDerWaalsContact C-N 3.31Å; G881-I883 PolarHBondContact O-N 3.41Å; G881-I883 VanDerWaalsContact O-N 3.15Å | ||
| 882 | Y | 28.1 | Very low | 33.7 | Very low | 221 Ų | 221 | 123.3 Ų | 123.3 | 87% | 0.867 | 61% | 0.609 | S | S | * | * | trans | -75.7 | 89 | 154 | -92 | -82.8 | 0 | 0 | 0 | 108.5 | F880 L884 | F880-Y882 PolarHBondContact O-N 2.97Å; Y882-L884 PolarHBondContact O-N 3.34Å; Y882-L884 VanDerWaalsContact O-N 3.16Å | ||
| 883 | I | 25.2 | Very low | 33.1 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 65% | 0.651 | 62% | 0.624 | S | S | * | * | trans | -72.5 | 98.8 | 168.2 | -63.1 | 167.8 | 0 | 0 | 0 | 107.8 | G881 | G881-I883 VanDerWaalsContact C-N 3.31Å; G881-I883 PolarHBondContact O-N 3.41Å; G881-I883 VanDerWaalsContact O-N 3.15Å | ||
| 884 | L | 25.5 | Very low | 32.1 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 81% | 0.812 | 64% | 0.635 | S | S | * | * | trans | -99.2 | 102.1 | 157.6 | -96.1 | 156.9 | 0 | 0 | 0 | 108.6 | Y882 | Y882-L884 PolarHBondContact O-N 3.34Å; Y882-L884 VanDerWaalsContact O-N 3.16Å | ||
| 885 | N | 26.5 | Very low | 31.1 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | trans | 53.3 | 88.3 | 161.8 | -82.2 | -35.7 | 0 | 0 | 0 | 119.7 | R887 | N885-R887 PolarHBondContact O-N 2.88Š| ||
| 886 | R | 24.4 | Very low | 30 | Very low | 228 Ų | 228 | 139.5 Ų | 139.5 | 86% | 0.86 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -62.6 | 94.2 | 151.1 | -80.9 | -178 | 171.3 | -178.2 | -1.7 | 110.1 | ||
| 887 | R | 26.9 | Very low | 29 | Very low | 243 Ų | 243 | 142 Ų | 142 | 92% | 0.917 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -165 | 4 | 157.3 | -114.6 | 170.7 | -169.8 | -173.9 | 3 | 118.8 | N885 | N885-R887 PolarHBondContact O-N 2.88Š|
| 888 | V | 28.5 | Very low | 28.1 | Very low | 116 Ų | 116 | 145 Ų | 145 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -123.8 | -12.5 | -167.4 | -174.9 | 0 | 0 | 0 | 0 | 117.8 | ||
| 889 | F | 27.1 | Very low | 27.6 | Very low | 183 Ų | 183 | 145 Ų | 145 | 80% | 0.803 | 71% | 0.714 | S | S | * | * | trans | -127.1 | 59.1 | -173.5 | -83 | -84.2 | 0 | 0 | 0 | 114.9 | ||||
| 890 | A | 26.8 | Very low | 27.9 | Very low | 85 Ų | 85 | 149.5 Ų | 149.5 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -84.6 | -8.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 891 | D | 27.6 | Very low | 28.5 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -125.2 | 20.7 | -163.1 | -72 | -29.9 | 0 | 0 | 0 | 117 | ||
| 892 | V | 27.7 | Very low | 30 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | trans | -131.3 | 67.2 | 175.3 | -165.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 893 | W | 23.4 | Very low | 32 | Very low | 230 Ų | 230 | 132.8 Ų | 132.8 | 87% | 0.871 | 66% | 0.66 | S | S | * | * | trans | -85.8 | 118.2 | 159 | -84.7 | 60.1 | 0 | 0 | 0 | 108.3 | ||||
| 894 | S | 23.7 | Very low | 34.5 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 168.2 | -12.7 | 142.7 | 41.2 | 0 | 0 | 0 | 0 | 117.3 | ||
| 895 | L | 23.2 | Very low | 37.2 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 82% | 0.817 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -142.2 | 125.9 | -171.3 | -76.1 | 153.5 | 0 | 0 | 0 | 111.6 | ||
| 896 | L | 22.7 | Very low | 39.8 | Very low | 169 Ų | 169 | 114.8 Ų | 114.8 | 89% | 0.885 | 57% | 0.565 | S | S | * | * | trans | 96 | 62.4 | -179.8 | -58.7 | 152.7 | 0 | 0 | 0 | 116.1 | V898 | L896-V898 PolarHBondContact O-N 3.42Š| ||
| 897 | F | 23.2 | Very low | 42.5 | Very low | 157 Ų | 157 | 104.1 Ų | 104.1 | 69% | 0.689 | 53% | 0.525 | S | S | * | . | trans | -76.7 | 104.1 | 160.4 | -86.8 | -97.3 | 0 | 0 | 0 | 109.6 | ||||
| 898 | V | 26.8 | Very low | 44.7 | Very low | 95 Ų | 95 | 94.2 Ų | 94.2 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | trans | -131.9 | 94.5 | 154 | -153.5 | 0 | 0 | 0 | 0 | 107.8 | L896 H900 | L896-V898 PolarHBondContact O-N 3.42Å; V898-H900 WeakPolarHBondContact CB-NE2 3.42Å; V898-H900 WeakPolarHBondContact CG1-CE1 3.38Å; V898-H900 WeakPolarHBondContact CG1-NE2 3.23Å; V898-H900 PolarHBondContact O-CD2 2.98Å; V898-H900 PolarHBondContact O-N 3.14Å | ||
| 899 | R | 32.1 | Very low | 46.5 | Very low | 132 Ų | 132 | 90.8 Ų | 90.8 | 50% | 0.498 | 47% | 0.47 | S | S | . | . | trans | -74.3 | 109.4 | 171.6 | -68.8 | -177 | 178 | 171.7 | 3 | 106.1 | D1201 | R899-D1201 IonicContact NH1-OD2 3.84Š| ||
| 900 | H | 46.8 | Very low | 48.4 | Very low | 131 Ų | 131 | 82.3 Ų | 82.3 | 61% | 0.606 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -101.7 | 120.5 | -176.9 | -72.2 | -65 | 0 | 0 | 0 | 110.3 | V898 | V898-H900 WeakPolarHBondContact CB-NE2 3.42Å; V898-H900 WeakPolarHBondContact CG1-CE1 3.38Å; V898-H900 WeakPolarHBondContact CG1-NE2 3.23Å; V898-H900 PolarHBondContact O-CD2 2.98Å; V898-H900 PolarHBondContact O-N 3.14Å |
| 901 | P | 51.3 | Low | 50.4 | Low | 21 Ų | 21 | 80.1 Ų | 80.1 | 14% | 0.136 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 156.7 | 179.2 | 24.3 | -27.4 | 0 | 0 | 0 | 112 | F918 Y1183 | P901-F918 WeakPolarHBondContact O-CD2 3.45Å; P901-F918 WeakPolarHBondContact O-CE2 3.35Å; P901-Y1183 HydrophobicContact CG-CD1 4.47Å |
| 902 | C | 62.6 | Low | 52.5 | Low | 29 Ų | 29 | 72.9 Ų | 72.9 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 142.5 | 179.6 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | C916 S1186 S1199 V1204 | C902-C916 CarbonylContact C-O 3.59Å; C902-C916 WeakPolarHBondContact CA-O 3.36Å; C902-C916 WeakPolarHBondContact CB-O 3.26Å; C902-S1186 PolarHBondContact O-OG 3.2Å; C902-S1199 WeakPolarHBondContact O-CB 3.28Å; C902-V1204 HydrophobicContact CB-CG2 4.41Å |
| 903 | A | 69.8 | Low | 54.7 | Low | 16 Ų | 16 | 67.2 Ų | 67.2 | 13% | 0.132 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 136.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L915 C916 F918 M949 | A903-L915 WeakPolarHBondContact O-CA 3.47Å; A903-C916 HydrophobicContact CB-CB 4.29Å; A903-C916 PolarHBondContact N-O 3.35Å; A903-C916 PolarHBondContact O-N 3.19Å; A903-F918 HydrophobicContact CB-CE1 3.89Å; A903-F918 HydrophobicContact CB-CE2 4.41Å; A903-F918 HydrophobicContact CB-CZ 3.63Å; A903-M949 HydrophobicContact CB-CG 4.14Å; A903-M949 HydrophobicContact CB-SD 3.63Å |
| 904 | V | 77.3 | Confident | 57.3 | Low | 15 Ų | 15 | 56.3 Ų | 56.3 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.7 | -179.1 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | L913 A914 L915 E1188 A1197 V1204 | V904-L913 HydrophobicContact CG1-CD1 3.35Å; V904-L913 HydrophobicContact CG1-CD2 4.14Å; V904-L913 HydrophobicContact CG1-CG 3.99Å; V904-A914 CarbonylContact C-O 3.46Å; V904-A914 WeakPolarHBondContact CA-O 3.45Å; V904-L915 HydrophobicContact CB-CD2 4.3Å; V904-L915 HydrophobicContact CG1-CD2 3.87Å; V904-L915 HydrophobicContact CG2-CD2 3.9Å; V904-E1188 VanDerWaalsContact C-OE2 3.24Å; V904-E1188 VanDerWaalsContact O-OE2 3.13Å; V904-A1197 HydrophobicContact CG1-CB 3.69Å; V904-V1204 HydrophobicContact CG1-CG1 4.2Å; V904-V1204 HydrophobicContact CG2-CB 4.5Å; V904-V1204 HydrophobicContact CG2-CG1 3.88Å; V904-V1204 HydrophobicContact CG2-CG2 3.75Å |
| 905 | Q | 82.5 | Confident | 59.6 | Low | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 117.7 | 173.9 | -147 | -175.5 | 4.1 | 0 | 0 | 115.2 | A914 M949 T950 W951 E1188 | Q905-A914 HydrophobicContact CB-CB 4.49Å; Q905-A914 PolarHBondContact N-O 3.19Å; Q905-A914 PolarHBondContact O-N 2.82Å; Q905-M949 HydrophobicContact CB-CE 4.34Å; Q905-M949 HydrophobicContact CB-CG 4.22Å; Q905-M949 VanDerWaalsContact OE1-C 3.22Å; Q905-M949 PolarHBondContact OE1-O 3.07Å; Q905-T950 VanDerWaalsContact CD-CA 3.41Å; Q905-T950 VanDerWaalsContact NE2-CA 3.28Å; Q905-T950 VanDerWaalsContact OE1-N 3.1Å; Q905-W951 VanDerWaalsContact CD-CD1 3.49Å; Q905-W951 PolarHBondContact O-NE1 2.91Å; Q905-W951 VanDerWaalsContact O-NE1 3.12Å; Q905-E1188 WeakPolarHBondContact CA-OE1 3.41Å; Q905-E1188 WeakPolarHBondContact CA-OE2 3.44Å; Q905-E1188 WeakPolarHBondContact CG-OE1 3.24Å; Q905-E1188 PolarHBondContact N-OE2 3.37Å |
| 906 | W | 81.8 | Confident | 62 | Low | 6 Ų | 6 | 45.7 Ų | 45.7 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 134.2 | 172.5 | -79 | 106.5 | 0 | 0 | 0 | 109.9 | L913 W926 E1188 C1190 L1195 A1197 V1206 | W906-L913 HydrophobicContact CB-CD1 4.47Å; W906-L913 HydrophobicContact CD2-CB 4.49Å; W906-L913 HydrophobicContact CD2-CD1 3.56Å; W906-L913 HydrophobicContact CE3-CB 4.05Å; W906-L913 HydrophobicContact CE3-CD1 3.99Å; W906-L913 HydrophobicContact CG-CD1 3.79Å; W906-L913 HydrophobicContact CH2-CB 4.29Å; W906-L913 HydrophobicContact CH2-CD2 4.34Å; W906-L913 HydrophobicContact CZ2-CD1 4.13Å; W906-L913 HydrophobicContact CZ2-CD2 4.16Å; W906-L913 HydrophobicContact CZ3-CB 3.96Å; W906-L913 HydrophobicContact CZ3-CD1 4.45Å; W906-W926 AromaticContact CH2-CZ3 3.92Å; W906-W926 HydrophobicContact CH2-CZ3 3.92Å; W906-W926 HydrophobicContact CZ3-CZ3 4.34Å; W906-E1188 PolarHBondContact N-OE1 3.26Å; W906-E1188 PolarHBondContact N-OE2 2.85Å; W906-E1188 PolarHBondContact NE1-O 3.41Å; W906-C1190 HydrophobicContact CD2-CB 4.25Å; W906-C1190 HydrophobicContact CG-CB 4.3Å; W906-L1195 HydrophobicContact CH2-CB 4.26Å; W906-L1195 HydrophobicContact CH2-CD1 3.91Å; W906-L1195 HydrophobicContact CZ2-CB 4Å; W906-L1195 HydrophobicContact CZ2-CD1 4.49Å; W906-L1195 HydrophobicContact CZ3-CD1 4.31Å; W906-A1197 HydrophobicContact CZ2-CB 4.12Å; W906-A1197 VanDerWaalsContact NE1-CB 3.28Å; W906-V1206 HydrophobicContact CH2-CG1 4.01Å; W906-V1206 HydrophobicContact CH2-CG2 4.42Å; W906-V1206 HydrophobicContact CZ2-CG1 3.73Å; W906-V1206 HydrophobicContact CZ2-CG2 4.03Å |
| 907 | H | 80.9 | Confident | 64.1 | Low | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | trans | -72.8 | 143.7 | 165 | -173.3 | -64.1 | 0 | 0 | 0 | 108.5 | N909 G910 T912 W951 Q956 H972 | H907-N909 WeakPolarHBondContact CB-OD1 3.49Å; H907-N909 WeakPolarHBondContact ND1-CB 3.31Å; H907-N909 PolarHBondContact ND1-N 3.46Å; H907-N909 PolarHBondContact ND1-ND2 3.44Å; H907-N909 PolarHBondContact ND1-OD1 2.86Å; H907-N909 PolarHBondContact O-N 2.95Å; H907-G910 PolarHBondContact O-N 3.03Å; H907-T912 HydrophobicContact CB-CG2 4.39Å; H907-T912 WeakPolarHBondContact CB-O 3.16Å; H907-T912 PolarHBondContact N-O 3.22Å; H907-W951 HydrophobicContact CB-CD2 4.41Å; H907-W951 AromaticContact CD2-CE3 3.65Å; H907-W951 AromaticContact CD2-CH2 3.87Å; H907-W951 AromaticContact CD2-CZ3 3.57Å; H907-Q956 VanDerWaalsContact NE2-CB 3.27Å; H907-Q956 WeakPolarHBondContact NE2-CB 3.49Å; H907-Q956 WeakPolarHBondContact NE2-CG 3.42Å; H907-H972 AromaticContact CD2-CD2 3.94Å | ||
| 908 | P | 72.3 | Confident | 66 | Low | 36 Ų | 36 | 36 Ų | 36 | 23% | 0.234 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 0.3 | 176.1 | -32.1 | 40.7 | 0 | 0 | 0 | 117.1 | E953 D1191 | P908-E953 HydrophobicContact CB-CG 4.34Å; P908-E953 HydrophobicContact CG-CB 4.34Å; P908-E953 HydrophobicContact CG-CG 3.98Å; P908-D1191 WeakPolarHBondContact CA-OD2 3.14Å; P908-D1191 VanDerWaalsContact CB-OD2 3.3Å; P908-D1191 WeakPolarHBondContact CB-OD2 3.04Å |
| 909 | N | 67.7 | Low | 67.7 | Low | 43 Ų | 43 | 41.2 Ų | 41.2 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -2.9 | 177 | 65.9 | 9.5 | 0 | 0 | 0 | 112.4 | H907 L911 T912 | H907-N909 WeakPolarHBondContact CB-OD1 3.49Å; H907-N909 WeakPolarHBondContact ND1-CB 3.31Å; H907-N909 PolarHBondContact ND1-N 3.46Å; H907-N909 PolarHBondContact ND1-ND2 3.44Å; H907-N909 PolarHBondContact ND1-OD1 2.86Å; H907-N909 PolarHBondContact O-N 2.95Å; N909-L911 PolarHBondContact O-N 3.41Å; N909-L911 PolarHBondContact OD1-N 3.5Å; N909-T912 PolarHBondContact ND2-OG1 3.07Å; N909-T912 PolarHBondContact OD1-N 3.46Å |
| 910 | G | 65.7 | Low | 69.2 | Low | 6 Ų | 6 | 37.8 Ų | 37.8 | 6% | 0.062 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 64.2 | 4.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116 | H907 C1190 | H907-G910 PolarHBondContact O-N 3.03Å; G910-C1190 WeakPolarHBondContact CA-SG 3.16Å |
| 911 | L | 68.7 | Low | 70.1 | Confident | 39 Ų | 39 | 33.8 Ų | 33.8 | 20% | 0.204 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -112.3 | -23.4 | -174.6 | -76.3 | 175.3 | 0 | 0 | 0 | 113.3 | N909 N927 S928 Q1448 | N909-L911 PolarHBondContact O-N 3.41Å; N909-L911 PolarHBondContact OD1-N 3.5Å; L911-N927 CarbonylContact O-C 3.53Å; L911-N927 WeakPolarHBondContact O-CA 3.42Å; L911-S928 WeakPolarHBondContact CA-OG 3.31Å; L911-S928 VanDerWaalsContact CD2-OG 3.22Å; L911-S928 WeakPolarHBondContact CD2-OG 3.25Å; L911-S928 PolarHBondContact O-N 2.83Å; L911-S928 PolarHBondContact O-OG 3.19Å; L911-S928 VanDerWaalsContact O-OG 3.08Å; L911-Q1448 VanDerWaalsContact CD2-OE1 3.23Å; L911-Q1448 VanDerWaalsContact CG-NE2 3.34Å |
| 912 | T | 71.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.4 | -172.2 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | H907 N909 I925 W926 | H907-T912 HydrophobicContact CB-CG2 4.39Å; H907-T912 WeakPolarHBondContact CB-O 3.16Å; H907-T912 PolarHBondContact N-O 3.22Å; N909-T912 PolarHBondContact ND2-OG1 3.07Å; N909-T912 PolarHBondContact OD1-N 3.46Å; T912-I925 HydrophobicContact CG2-CG2 3.33Å; T912-W926 CarbonylContact C-O 3.56Å; T912-W926 VanDerWaalsContact CA-O 3.3Å; T912-W926 WeakPolarHBondContact CA-O 3.37Å |
| 913 | L | 74.3 | Confident | 71.4 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.8 | 179 | -173.5 | 60.7 | 0 | 0 | 0 | 108.8 | V904 W906 L915 I925 W926 A1197 V1204 V1206 | V904-L913 HydrophobicContact CG1-CD1 3.35Å; V904-L913 HydrophobicContact CG1-CD2 4.14Å; V904-L913 HydrophobicContact CG1-CG 3.99Å; W906-L913 HydrophobicContact CB-CD1 4.47Å; W906-L913 HydrophobicContact CD2-CB 4.49Å; W906-L913 HydrophobicContact CD2-CD1 3.56Å; W906-L913 HydrophobicContact CE3-CB 4.05Å; W906-L913 HydrophobicContact CE3-CD1 3.99Å; W906-L913 HydrophobicContact CG-CD1 3.79Å; W906-L913 HydrophobicContact CH2-CB 4.29Å; W906-L913 HydrophobicContact CH2-CD2 4.34Å; W906-L913 HydrophobicContact CZ2-CD1 4.13Å; W906-L913 HydrophobicContact CZ2-CD2 4.16Å; W906-L913 HydrophobicContact CZ3-CB 3.96Å; W906-L913 HydrophobicContact CZ3-CD1 4.45Å; L913-L915 HydrophobicContact CD2-CD2 3.8Å; L913-L915 HydrophobicContact CD2-CG 4.46Å; L913-L915 HydrophobicContact CG-CD2 3.82Å; L913-L915 HydrophobicContact CG-CG 4.29Å; L913-I925 CarbonylContact O-C 3.48Å; L913-I925 WeakPolarHBondContact O-CA 3.4Å; L913-W926 HydrophobicContact CB-CB 4.49Å; L913-W926 HydrophobicContact CB-CE3 3.8Å; L913-W926 HydrophobicContact CD2-CE3 4.23Å; L913-W926 PolarHBondContact N-O 3.47Å; L913-W926 PolarHBondContact O-N 3.06Å; L913-A1197 HydrophobicContact CD1-CB 4.31Å; L913-A1197 HydrophobicContact CD2-CB 4.34Å; L913-V1204 HydrophobicContact CD2-CG1 4.37Å; L913-V1206 HydrophobicContact CD2-CG2 3.99Å |
| 914 | A | 77.4 | Confident | 71.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | V904 Q905 V923 I924 M949 W951 L958 | V904-A914 CarbonylContact C-O 3.46Å; V904-A914 WeakPolarHBondContact CA-O 3.45Å; Q905-A914 HydrophobicContact CB-CB 4.49Å; Q905-A914 PolarHBondContact N-O 3.19Å; Q905-A914 PolarHBondContact O-N 2.82Å; A914-V923 HydrophobicContact CB-CG1 4.08Å; A914-I924 CarbonylContact C-O 3.54Å; A914-I924 WeakPolarHBondContact CA-O 3.38Å; A914-M949 HydrophobicContact CB-CE 3.34Å; A914-W951 HydrophobicContact CB-CZ2 3.84Å; A914-L958 HydrophobicContact CB-CD1 4.43Å; A914-L958 HydrophobicContact CB-CD2 4.1Å |
| 915 | L | 73.5 | Confident | 71.5 | Confident | 32 Ų | 32 | 32.9 Ų | 32.9 | 17% | 0.168 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131 | -175.8 | -55.3 | 172.5 | 0 | 0 | 0 | 108.6 | A903 V904 L913 V923 I924 V1204 | A903-L915 WeakPolarHBondContact O-CA 3.47Å; V904-L915 HydrophobicContact CB-CD2 4.3Å; V904-L915 HydrophobicContact CG1-CD2 3.87Å; V904-L915 HydrophobicContact CG2-CD2 3.9Å; L913-L915 HydrophobicContact CD2-CD2 3.8Å; L913-L915 HydrophobicContact CD2-CG 4.46Å; L913-L915 HydrophobicContact CG-CD2 3.82Å; L913-L915 HydrophobicContact CG-CG 4.29Å; L915-V923 CarbonylContact O-C 3.53Å; L915-V923 WeakPolarHBondContact O-CA 3.26Å; L915-I924 HydrophobicContact CB-CB 4.16Å; L915-I924 HydrophobicContact CD1-CG2 4.46Å; L915-I924 PolarHBondContact N-O 3.23Å; L915-I924 PolarHBondContact O-N 3.07Å; L915-V1204 HydrophobicContact CD2-CB 4.23Å; L915-V1204 HydrophobicContact CD2-CG1 3.99Å; L915-V1204 HydrophobicContact CD2-CG2 3.95Å |
| 916 | C | 73 | Confident | 70.9 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.4 | 176.7 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | C902 A903 V923 I946 M949 | C902-C916 CarbonylContact C-O 3.59Å; C902-C916 WeakPolarHBondContact CA-O 3.36Å; C902-C916 WeakPolarHBondContact CB-O 3.26Å; A903-C916 HydrophobicContact CB-CB 4.29Å; A903-C916 PolarHBondContact N-O 3.35Å; A903-C916 PolarHBondContact O-N 3.19Å; C916-V923 HydrophobicContact CB-CG2 4.06Å; C916-I946 WeakPolarHBondContact SG-CD1 3.24Å; C916-I946 VanDerWaalsContact SG-CG2 3.55Å; C916-M949 HydrophobicContact CB-CE 4.4Å; C916-M949 HydrophobicContact CB-SD 3.65Å |
| 917 | D | 66.9 | Low | 70.2 | Confident | 59 Ų | 59 | 34.1 Ų | 34.1 | 32% | 0.316 | 17% | 0.169 | S | C | . | . | trans | -87.8 | 122.2 | 161.8 | 177.9 | -6.3 | 0 | 0 | 0 | 107.5 | R919 N920 | D917-R919 PolarHBondContact O-N 2.9Å; D917-R919 PolarHBondContact OD1-N 2.89Å; D917-N920 HydrophobicContact CB-CB 4.07Å; D917-N920 PolarHBondContact O-N 3.29Å | ||
| 918 | F | 63.3 | Low | 69.1 | Low | 64 Ų | 64 | 34.2 Ų | 34.2 | 28% | 0.281 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -10 | -177.4 | -61.9 | -63.6 | 0 | 0 | 0 | 114.4 | P901 A903 T945 I946 | P901-F918 WeakPolarHBondContact O-CD2 3.45Å; P901-F918 WeakPolarHBondContact O-CE2 3.35Å; A903-F918 HydrophobicContact CB-CE1 3.89Å; A903-F918 HydrophobicContact CB-CE2 4.41Å; A903-F918 HydrophobicContact CB-CZ 3.63Å; F918-T945 WeakPolarHBondContact O-CB 3.43Å; F918-I946 VanDerWaalsContact CD1-O 3.29Å; F918-I946 WeakPolarHBondContact CD1-O 3.19Å |
| 919 | R | 62.2 | Low | 68.2 | Low | 204 Ų | 204 | 36 Ų | 36 | 77% | 0.77 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -10 | 172.2 | -68.2 | -172.6 | -70.3 | -167.8 | -4.3 | 114.4 | D917 | D917-R919 PolarHBondContact O-N 2.9Å; D917-R919 PolarHBondContact OD1-N 2.89Å |
| 920 | N | 63.4 | Low | 67.5 | Low | 61 Ų | 61 | 37.4 Ų | 37.4 | 33% | 0.326 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -107.6 | 125.2 | -175.7 | -160 | -10.5 | 0 | 0 | 0 | 109.4 | D917 A922 | D917-N920 HydrophobicContact CB-CB 4.07Å; D917-N920 PolarHBondContact O-N 3.29Å; N920-A922 PolarHBondContact O-N 3.16Å |
| 921 | P | 65.6 | Low | 66.8 | Low | 47 Ų | 47 | 40.7 Ų | 40.7 | 31% | 0.305 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -71.2 | 19.8 | 176.5 | 31.2 | -37.4 | 0 | 0 | 0 | 113.3 | I938 | P921-I938 CarbonylContact O-C 3.59Å; P921-I938 WeakPolarHBondContact O-CA 3.27Å; P921-I938 WeakPolarHBondContact O-CB 3.27Å; P921-I938 PolarHBondContact O-N 3.24Å |
| 922 | A | 67.8 | Low | 66.1 | Low | 13 Ų | 13 | 42.8 Ų | 42.8 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N920 V936 | N920-A922 PolarHBondContact O-N 3.16Å; A922-V936 CarbonylContact C-O 3.6Å; A922-V936 VanDerWaalsContact CA-O 3.23Å; A922-V936 WeakPolarHBondContact CA-O 3.38Å |
| 923 | V | 73.9 | Confident | 65.4 | Low | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.4 | 169.6 | 171.9 | 0 | 0 | 0 | 0 | 108.9 | A914 L915 C916 I925 V936 I938 I946 M949 L958 V960 | A914-V923 HydrophobicContact CB-CG1 4.08Å; L915-V923 CarbonylContact O-C 3.53Å; L915-V923 WeakPolarHBondContact O-CA 3.26Å; C916-V923 HydrophobicContact CB-CG2 4.06Å; V923-I925 HydrophobicContact CG1-CG1 4.32Å; V923-V936 PolarHBondContact N-O 3.19Å; V923-V936 PolarHBondContact O-N 3.45Å; V923-I938 HydrophobicContact CB-CD1 3.7Å; V923-I938 HydrophobicContact CB-CG1 4.38Å; V923-I938 HydrophobicContact CG2-CD1 3.28Å; V923-I938 HydrophobicContact CG2-CG1 4.2Å; V923-I946 HydrophobicContact CG2-CD1 3.88Å; V923-M949 HydrophobicContact CG1-CE 3.83Å; V923-M949 HydrophobicContact CG2-CE 4.4Å; V923-L958 HydrophobicContact CG1-CD2 3.96Å; V923-V960 HydrophobicContact CG2-CG2 4.45Å |
| 924 | I | 73 | Confident | 65 | Low | 41 Ų | 41 | 48 Ų | 48 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121 | 176 | -58.3 | 168.5 | 0 | 0 | 0 | 108.1 | A914 L915 A933 | A914-I924 CarbonylContact C-O 3.54Å; A914-I924 WeakPolarHBondContact CA-O 3.38Å; L915-I924 HydrophobicContact CB-CB 4.16Å; L915-I924 HydrophobicContact CD1-CG2 4.46Å; L915-I924 PolarHBondContact N-O 3.23Å; L915-I924 PolarHBondContact O-N 3.07Å; I924-A933 HydrophobicContact CG2-CB 4.02Å |
| 925 | I | 76.5 | Confident | 64.5 | Low | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 106.7 | 174.9 | -58.7 | 179.3 | 0 | 0 | 0 | 107.5 | T912 L913 V923 A933 K934 V936 Y970 | T912-I925 HydrophobicContact CG2-CG2 3.33Å; L913-I925 CarbonylContact O-C 3.48Å; L913-I925 WeakPolarHBondContact O-CA 3.4Å; V923-I925 HydrophobicContact CG1-CG1 4.32Å; I925-A933 CarbonylContact O-C 3.37Å; I925-A933 WeakPolarHBondContact O-CA 3.46Å; I925-K934 PolarHBondContact N-O 2.85Å; I925-K934 PolarHBondContact O-N 3.02Å; I925-V936 HydrophobicContact CD1-CG2 3.66Å; I925-V936 HydrophobicContact CG1-CG2 4.17Å; I925-Y970 HydrophobicContact CD1-CD1 3.88Å; I925-Y970 HydrophobicContact CD1-CE1 3.09Å; I925-Y970 HydrophobicContact CD1-CE2 4.34Å; I925-Y970 VanDerWaalsContact CD1-OH 3.27Å; I925-Y970 WeakPolarHBondContact CD1-OH 3.34Å |
| 926 | W | 69.4 | Low | 64.3 | Low | 32 Ų | 32 | 49.4 Ų | 49.4 | 12% | 0.121 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 136 | 175.1 | 178 | 74.3 | 0 | 0 | 0 | 109.8 | W906 T912 L913 M931 | W906-W926 AromaticContact CH2-CZ3 3.92Å; W906-W926 HydrophobicContact CH2-CZ3 3.92Å; W906-W926 HydrophobicContact CZ3-CZ3 4.34Å; T912-W926 CarbonylContact C-O 3.56Å; T912-W926 VanDerWaalsContact CA-O 3.3Å; T912-W926 WeakPolarHBondContact CA-O 3.37Å; L913-W926 HydrophobicContact CB-CB 4.49Å; L913-W926 HydrophobicContact CB-CE3 3.8Å; L913-W926 HydrophobicContact CD2-CE3 4.23Å; L913-W926 PolarHBondContact N-O 3.47Å; L913-W926 PolarHBondContact O-N 3.06Å; W926-M931 HydrophobicContact CZ2-SD 4.5Å |
| 927 | N | 66 | Low | 64.2 | Low | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 118 | 175.6 | 176.6 | -46.6 | 0 | 0 | 0 | 109.1 | L911 S929 T930 M931 T932 | L911-N927 CarbonylContact O-C 3.53Å; L911-N927 WeakPolarHBondContact O-CA 3.42Å; N927-S929 PolarHBondContact O-N 3.26Å; N927-S929 WeakPolarHBondContact OD1-CB 3.34Å; N927-S929 PolarHBondContact OD1-N 3.38Å; N927-S929 PolarHBondContact OD1-OG 3.07Å; N927-T930 WeakPolarHBondContact CB-OG1 3.3Å; N927-T930 PolarHBondContact O-N 3.41Å; N927-T930 PolarHBondContact O-OG1 3.14Å; N927-T930 PolarHBondContact OD1-N 3.04Å; N927-T930 PolarHBondContact OD1-OG1 3.14Å; N927-M931 WeakPolarHBondContact O-CA 3.37Å; N927-M931 PolarHBondContact O-N 3.37Å; N927-T932 PolarHBondContact N-O 2.81Å; N927-T932 PolarHBondContact O-N 3.46Å |
| 928 | S | 58 | Low | 64.3 | Low | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -38.1 | -176.9 | 65.2 | 0 | 0 | 0 | 0 | 112.6 | L911 T930 M931 | L911-S928 WeakPolarHBondContact CA-OG 3.31Å; L911-S928 VanDerWaalsContact CD2-OG 3.22Å; L911-S928 WeakPolarHBondContact CD2-OG 3.25Å; L911-S928 PolarHBondContact O-N 2.83Å; L911-S928 PolarHBondContact O-OG 3.19Å; L911-S928 VanDerWaalsContact O-OG 3.08Å; S928-T930 PolarHBondContact O-N 2.98Å; S928-M931 WeakPolarHBondContact O-CE 3.23Å |
| 929 | S | 53.4 | Low | 64.4 | Low | 74 Ų | 74 | 52.5 Ų | 52.5 | 52% | 0.517 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -36.6 | 179.8 | 70 | 0 | 0 | 0 | 0 | 113 | N927 | N927-S929 PolarHBondContact O-N 3.26Å; N927-S929 WeakPolarHBondContact OD1-CB 3.34Å; N927-S929 PolarHBondContact OD1-N 3.38Å; N927-S929 PolarHBondContact OD1-OG 3.07Å |
| 930 | T | 54.5 | Low | 64.5 | Low | 72 Ų | 72 | 42.9 Ų | 42.9 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -12.5 | -178.1 | 61.2 | 0 | 0 | 0 | 0 | 113 | N927 S928 T932 | N927-T930 WeakPolarHBondContact CB-OG1 3.3Å; N927-T930 PolarHBondContact O-N 3.41Å; N927-T930 PolarHBondContact O-OG1 3.14Å; N927-T930 PolarHBondContact OD1-N 3.04Å; N927-T930 PolarHBondContact OD1-OG1 3.14Å; S928-T930 PolarHBondContact O-N 2.98Å; T930-T932 WeakPolarHBondContact O-CG2 3.48Å; T930-T932 PolarHBondContact O-N 2.63Å; T930-T932 VanDerWaalsContact O-N 3.15Å; T930-T932 PolarHBondContact OG1-N 2.82Å; T930-T932 PolarHBondContact OG1-OG1 3.42Å |
| 931 | M | 50.8 | Low | 64.3 | Low | 74 Ų | 74 | 43.5 Ų | 43.5 | 37% | 0.365 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 30.4 | -167.7 | -59.9 | -72.3 | 175.5 | 0 | 0 | 111.9 | F874 W926 N927 S928 | F874-M931 HydrophobicContact CE1-SD 4.39Å; W926-M931 HydrophobicContact CZ2-SD 4.5Å; N927-M931 WeakPolarHBondContact O-CA 3.37Å; N927-M931 PolarHBondContact O-N 3.37Å; S928-M931 WeakPolarHBondContact O-CE 3.23Å |
| 932 | T | 53.1 | Low | 64 | Low | 83 Ų | 83 | 44.8 Ų | 44.8 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.4 | 179 | 66 | 0 | 0 | 0 | 0 | 110.8 | N927 T930 | N927-T932 PolarHBondContact N-O 2.81Å; N927-T932 PolarHBondContact O-N 3.46Å; T930-T932 WeakPolarHBondContact O-CG2 3.48Å; T930-T932 PolarHBondContact O-N 2.63Å; T930-T932 VanDerWaalsContact O-N 3.15Å; T930-T932 PolarHBondContact OG1-N 2.82Å; T930-T932 PolarHBondContact OG1-OG1 3.42Å |
| 933 | A | 58.5 | Low | 63.7 | Low | 39 Ų | 39 | 48.5 Ų | 48.5 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I877 I924 I925 | I877-A933 HydrophobicContact CD1-CB 4.26Å; I877-A933 HydrophobicContact CG1-CB 4.35Å; I877-A933 HydrophobicContact CG2-CB 3.71Å; I924-A933 HydrophobicContact CG2-CB 4.02Å; I925-A933 CarbonylContact O-C 3.37Å; I925-A933 WeakPolarHBondContact O-CA 3.46Å |
| 934 | K | 64.3 | Low | 63.4 | Low | 74 Ų | 74 | 49.1 Ų | 49.1 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.2 | 177 | -175.4 | -175.4 | 170.4 | -129.8 | 0 | 109.5 | I925 V936 Y970 F991 | I925-K934 PolarHBondContact N-O 2.85Å; I925-K934 PolarHBondContact O-N 3.02Å; K934-V936 HydrophobicContact CD-CG2 4.48Å; K934-V936 HydrophobicContact CG-CG2 4.46Å; K934-V936 PolarHBondContact O-N 3.01Å; K934-Y970 PolarHBondContact NZ-OH 3.03Å; K934-F991 HydrophobicContact CD-CE1 4.35Å; K934-F991 HydrophobicContact CD-CE2 4.18Å; K934-F991 HydrophobicContact CD-CZ 3.88Å; K934-F991 VanDerWaalsContact NZ-CD1 3.27Å; K934-F991 VanDerWaalsContact NZ-CE1 3.25Å |
| 935 | A | 66.4 | Low | 63.3 | Low | 52 Ų | 52 | 49.7 Ų | 49.7 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 936 | V | 70.5 | Confident | 63.3 | Low | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 112.2 | 173 | -178.9 | 0 | 0 | 0 | 0 | 107 | A922 V923 I925 K934 I938 Y970 I993 | A922-V936 CarbonylContact C-O 3.6Å; A922-V936 VanDerWaalsContact CA-O 3.23Å; A922-V936 WeakPolarHBondContact CA-O 3.38Å; V923-V936 PolarHBondContact N-O 3.19Å; V923-V936 PolarHBondContact O-N 3.45Å; I925-V936 HydrophobicContact CD1-CG2 3.66Å; I925-V936 HydrophobicContact CG1-CG2 4.17Å; K934-V936 HydrophobicContact CD-CG2 4.48Å; K934-V936 HydrophobicContact CG-CG2 4.46Å; K934-V936 PolarHBondContact O-N 3.01Å; V936-I938 HydrophobicContact CG1-CG1 4.31Å; V936-I938 WeakPolarHBondContact O-CG1 3.5Å; V936-I938 PolarHBondContact O-N 3.41Å; V936-Y970 HydrophobicContact CB-CE2 4.33Å; V936-Y970 HydrophobicContact CG1-CD2 3.74Å; V936-Y970 HydrophobicContact CG1-CE2 3.62Å; V936-Y970 HydrophobicContact CG2-CE2 3.8Å; V936-I993 HydrophobicContact CG1-CD1 3.9Å |
| 937 | D | 70.5 | Confident | 63.7 | Low | 91 Ų | 91 | 49.5 Ų | 49.5 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.3 | 176 | -163.4 | 4.3 | 0 | 0 | 0 | 109.2 | N939 | D937-N939 VanDerWaalsContact CG-ND2 3.27Å; D937-N939 PolarHBondContact OD1-ND2 2.94Å; D937-N939 PolarHBondContact OD2-ND2 2.94Å |
| 938 | I | 68.5 | Low | 64.5 | Low | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | trans | -104.5 | 72.9 | -176.6 | -59.5 | -162.4 | 0 | 0 | 0 | 107.2 | P921 V923 V936 F940 I946 V960 L968 | P921-I938 CarbonylContact O-C 3.59Å; P921-I938 WeakPolarHBondContact O-CA 3.27Å; P921-I938 WeakPolarHBondContact O-CB 3.27Å; P921-I938 PolarHBondContact O-N 3.24Å; V923-I938 HydrophobicContact CB-CD1 3.7Å; V923-I938 HydrophobicContact CB-CG1 4.38Å; V923-I938 HydrophobicContact CG2-CD1 3.28Å; V923-I938 HydrophobicContact CG2-CG1 4.2Å; V936-I938 HydrophobicContact CG1-CG1 4.31Å; V936-I938 WeakPolarHBondContact O-CG1 3.5Å; V936-I938 PolarHBondContact O-N 3.41Å; I938-F940 HydrophobicContact CG2-CD2 4.37Å; I938-F940 HydrophobicContact CG2-CE2 3.82Å; I938-F940 HydrophobicContact CG2-CZ 4Å; I938-F940 PolarHBondContact O-N 2.89Å; I938-I946 HydrophobicContact CB-CD1 4.26Å; I938-I946 HydrophobicContact CD1-CD1 4.47Å; I938-I946 HydrophobicContact CG2-CD1 4.35Å; I938-V960 HydrophobicContact CD1-CB 4.2Å; I938-V960 HydrophobicContact CD1-CG1 4.14Å; I938-V960 HydrophobicContact CD1-CG2 3.7Å; I938-V960 HydrophobicContact CG2-CG1 4.28Å; I938-L968 HydrophobicContact CB-CD1 4.35Å; I938-L968 HydrophobicContact CD1-CD2 4.14Å; I938-L968 HydrophobicContact CG1-CD2 4.41Å; I938-L968 HydrophobicContact CG2-CB 4.2Å; I938-L968 HydrophobicContact CG2-CD1 3.35Å; I938-L968 HydrophobicContact CG2-CD2 3.71Å; I938-L968 HydrophobicContact CG2-CG 3.91Å | ||
| 939 | N | 66 | Low | 65.8 | Low | 98 Ų | 98 | 49.5 Ų | 49.5 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | trans | -83.1 | 109.7 | 172.9 | -77.8 | -48.9 | 0 | 0 | 0 | 109.7 | D937 G941 | D937-N939 VanDerWaalsContact CG-ND2 3.27Å; D937-N939 PolarHBondContact OD1-ND2 2.94Å; D937-N939 PolarHBondContact OD2-ND2 2.94Å; N939-G941 PolarHBondContact O-N 2.79Å | ||
| 940 | F | 65 | Low | 67.4 | Low | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | trans | -67.8 | 8.2 | 172.1 | -67.3 | -87.8 | 0 | 0 | 0 | 113.7 | I938 V942 D944 I946 V960 N966 L968 | I938-F940 HydrophobicContact CG2-CD2 4.37Å; I938-F940 HydrophobicContact CG2-CE2 3.82Å; I938-F940 HydrophobicContact CG2-CZ 4Å; I938-F940 PolarHBondContact O-N 2.89Å; F940-V942 PolarHBondContact O-N 2.95Å; F940-D944 HydrophobicContact CB-CB 4.33Å; F940-D944 HydrophobicContact CD2-CB 4.06Å; F940-D944 HydrophobicContact CG-CB 4.44Å; F940-I946 HydrophobicContact CE2-CG1 3.98Å; F940-I946 HydrophobicContact CZ-CG1 4.5Å; F940-V960 HydrophobicContact CZ-CG1 4.23Å; F940-N966 HydrophobicContact CD1-CB 3.7Å; F940-N966 HydrophobicContact CE1-CB 4.17Å; F940-N966 HydrophobicContact CG-CB 4.41Å; F940-L968 HydrophobicContact CD1-CB 4.01Å; F940-L968 HydrophobicContact CD1-CD1 4.44Å; F940-L968 HydrophobicContact CE1-CB 3.46Å; F940-L968 VanDerWaalsContact CE1-CB 3.46Å; F940-L968 HydrophobicContact CE1-CD1 4.49Å; F940-L968 HydrophobicContact CZ-CB 4.03Å | ||
| 941 | G | 58.5 | Low | 69 | Low | 73 Ų | 73 | 43.9 Ų | 43.9 | 75% | 0.753 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 77.3 | -14.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N939 | N939-G941 PolarHBondContact O-N 2.79Š|
| 942 | V | 59.8 | Low | 70.6 | Confident | 75 Ų | 75 | 40.4 Ų | 40.4 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -126.8 | 145 | 172.7 | -174.1 | 0 | 0 | 0 | 0 | 107.4 | F940 D944 | F940-V942 PolarHBondContact O-N 2.95Å; V942-D944 PolarHBondContact O-N 3.33Å |
| 943 | A | 61.8 | Low | 71.6 | Confident | 91 Ų | 91 | 43.4 Ų | 43.4 | 75% | 0.752 | 27% | 0.272 | S | S | * | . | trans | -58.1 | 109.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | K964 | A943-K964 PolarHBondContact O-NZ 2.95Š| ||
| 944 | D | 67.4 | Low | 72.3 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | trans | -146.9 | 143.5 | -171.6 | -137.7 | -5.2 | 0 | 0 | 0 | 109.8 | F940 V942 S962 I963 K964 N966 | F940-D944 HydrophobicContact CB-CB 4.33Å; F940-D944 HydrophobicContact CD2-CB 4.06Å; F940-D944 HydrophobicContact CG-CB 4.44Å; V942-D944 PolarHBondContact O-N 3.33Å; D944-S962 WeakPolarHBondContact OD2-CB 3.27Å; D944-S962 PolarHBondContact OD2-OG 3.14Å; D944-I963 WeakPolarHBondContact OD1-CG1 3.47Å; D944-K964 VanDerWaalsContact OD1-CD 3.26Å; D944-K964 WeakPolarHBondContact OD1-CD 3.45Å; D944-K964 WeakPolarHBondContact OD1-CE 3.42Å; D944-K964 WeakPolarHBondContact OD1-CG 3.49Å; D944-K964 IonicContact OD1-NZ 3.74Å; D944-K964 WeakPolarHBondContact OD2-CB 3.45Å; D944-N966 PolarHBondContact OD2-ND2 2.64Å | ||
| 945 | T | 71.2 | Confident | 72.8 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | trans | -98.9 | 135.6 | -179.6 | 61.7 | 0 | 0 | 0 | 0 | 110 | F918 S962 I963 | F918-T945 WeakPolarHBondContact O-CB 3.43Å; T945-S962 VanDerWaalsContact O-CA 3.24Å; T945-S962 WeakPolarHBondContact O-CA 3.49Å; T945-I963 HydrophobicContact CG2-CD1 4.43Å; T945-I963 PolarHBondContact O-N 3.41Å; T945-I963 WeakPolarHBondContact OG1-CD1 3.5Å; T945-I963 WeakPolarHBondContact OG1-CG1 3.48Å | ||
| 946 | I | 76.2 | Confident | 73.2 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 140.9 | 175.4 | -63.9 | 166.5 | 0 | 0 | 0 | 108.7 | C916 F918 V923 I938 F940 V960 G961 | C916-I946 WeakPolarHBondContact SG-CD1 3.24Å; C916-I946 VanDerWaalsContact SG-CG2 3.55Å; F918-I946 VanDerWaalsContact CD1-O 3.29Å; F918-I946 WeakPolarHBondContact CD1-O 3.19Å; V923-I946 HydrophobicContact CG2-CD1 3.88Å; I938-I946 HydrophobicContact CB-CD1 4.26Å; I938-I946 HydrophobicContact CD1-CD1 4.47Å; I938-I946 HydrophobicContact CG2-CD1 4.35Å; F940-I946 HydrophobicContact CE2-CG1 3.98Å; F940-I946 HydrophobicContact CZ-CG1 4.5Å; I946-V960 HydrophobicContact CB-CG1 4.16Å; I946-V960 HydrophobicContact CD1-CG1 3.88Å; I946-V960 HydrophobicContact CG1-CG1 3.71Å; I946-V960 HydrophobicContact CG2-CG1 3.41Å; I946-V960 VanDerWaalsContact CG2-CG1 3.41Å; I946-G961 CarbonylContact C-O 3.57Å; I946-G961 VanDerWaalsContact CA-O 3.26Å; I946-G961 WeakPolarHBondContact CA-O 3.47Å |
| 947 | C | 76.6 | Confident | 73.9 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | -24.6 | 179.1 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | G961 S962 I963 I1004 | C947-G961 PolarHBondContact N-O 2.89Å; C947-G961 VanDerWaalsContact SG-C 3.51Å; C947-S962 VanDerWaalsContact SG-CA 3.6Å; C947-S962 PolarHBondContact SG-N 3.14Å; C947-S962 PolarHBondContact SG-O 2.83Å; C947-I963 HydrophobicContact CB-CG2 3.97Å; C947-I1004 PolarHBondContact SG-O 3.42Å |
| 948 | F | 82.4 | Confident | 74.6 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 5% | 0.053 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 161.5 | 174.3 | 87.4 | -85.8 | 0 | 0 | 0 | 110.8 | T950 V960 G961 L967 I1004 L1017 | F948-T950 HydrophobicContact CE2-CG2 4.02Å; F948-V960 WeakPolarHBondContact O-CA 3.28Å; F948-G961 VanDerWaalsContact CD1-CA 3.42Å; F948-G961 VanDerWaalsContact CE1-N 3.31Å; F948-G961 PolarHBondContact O-N 3.41Å; F948-L967 HydrophobicContact CE1-CD1 4.43Å; F948-L967 HydrophobicContact CZ-CD1 3.81Å; F948-I1004 HydrophobicContact CD1-CB 3.67Å; F948-I1004 HydrophobicContact CD1-CG2 3.44Å; F948-I1004 VanDerWaalsContact CD1-CG2 3.44Å; F948-I1004 HydrophobicContact CE1-CB 3.48Å; F948-I1004 VanDerWaalsContact CE1-CB 3.48Å; F948-I1004 HydrophobicContact CE1-CD1 3.78Å; F948-I1004 HydrophobicContact CE1-CG1 4.2Å; F948-I1004 HydrophobicContact CE1-CG2 3.06Å; F948-I1004 HydrophobicContact CG-CG2 4.42Å; F948-I1004 HydrophobicContact CZ-CG2 3.82Å; F948-L1017 HydrophobicContact CE1-CD2 4.23Å; F948-L1017 HydrophobicContact CE2-CD2 4.01Å; F948-L1017 HydrophobicContact CZ-CD2 3.44Å; F948-L1017 VanDerWaalsContact CZ-CD2 3.44Å |
| 949 | M | 86.3 | Confident | 75.6 | Confident | 19 Ų | 19 | 44 Ų | 44 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 139.6 | 172.3 | 61.6 | -164.4 | -57.1 | 0 | 0 | 110.6 | A903 Q905 A914 C916 V923 L958 A959 V960 | A903-M949 HydrophobicContact CB-CG 4.14Å; A903-M949 HydrophobicContact CB-SD 3.63Å; Q905-M949 HydrophobicContact CB-CE 4.34Å; Q905-M949 HydrophobicContact CB-CG 4.22Å; Q905-M949 VanDerWaalsContact OE1-C 3.22Å; Q905-M949 PolarHBondContact OE1-O 3.07Å; A914-M949 HydrophobicContact CB-CE 3.34Å; C916-M949 HydrophobicContact CB-CE 4.4Å; C916-M949 HydrophobicContact CB-SD 3.65Å; V923-M949 HydrophobicContact CG1-CE 3.83Å; V923-M949 HydrophobicContact CG2-CE 4.4Å; M949-L958 HydrophobicContact CB-CD1 4.17Å; M949-L958 HydrophobicContact CE-CD1 4.02Å; M949-L958 HydrophobicContact CE-CD2 4.12Å; M949-A959 CarbonylContact C-O 3.54Å; M949-A959 WeakPolarHBondContact CA-O 3.28Å; M949-V960 HydrophobicContact CB-CG2 4.4Å |
| 950 | T | 87.7 | Confident | 76.6 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 134 | 176.9 | -163.3 | 0 | 0 | 0 | 0 | 112.5 | Q905 F948 L958 A959 G1007 Y1009 L1015 | Q905-T950 VanDerWaalsContact CD-CA 3.41Å; Q905-T950 VanDerWaalsContact NE2-CA 3.28Å; Q905-T950 VanDerWaalsContact OE1-N 3.1Å; F948-T950 HydrophobicContact CE2-CG2 4.02Å; T950-L958 CarbonylContact O-C 3.5Å; T950-L958 WeakPolarHBondContact O-CA 3.44Å; T950-A959 HydrophobicContact CG2-CB 3.77Å; T950-A959 PolarHBondContact N-O 2.88Å; T950-A959 PolarHBondContact O-N 3.38Å; T950-G1007 WeakPolarHBondContact CB-O 3.35Å; T950-G1007 WeakPolarHBondContact CG2-O 3.48Å; T950-G1007 PolarHBondContact OG1-O 3.45Å; T950-Y1009 HydrophobicContact CG2-CD2 3.92Å; T950-Y1009 HydrophobicContact CG2-CE2 3.69Å; T950-Y1009 WeakPolarHBondContact O-CE2 3.47Å; T950-L1015 HydrophobicContact CG2-CD1 3.64Å |
| 951 | W | 87.7 | Confident | 77.6 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 5% | 0.045 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 142.1 | 175.8 | -78.7 | 111.5 | 0 | 0 | 0 | 110.7 | Q905 H907 A914 Q956 T957 L958 Y970 H972 Y1009 | Q905-W951 VanDerWaalsContact CD-CD1 3.49Å; Q905-W951 PolarHBondContact O-NE1 2.91Å; Q905-W951 VanDerWaalsContact O-NE1 3.12Å; H907-W951 HydrophobicContact CB-CD2 4.41Å; H907-W951 AromaticContact CD2-CE3 3.65Å; H907-W951 AromaticContact CD2-CH2 3.87Å; H907-W951 AromaticContact CD2-CZ3 3.57Å; A914-W951 HydrophobicContact CB-CZ2 3.84Å; W951-Q956 WeakPolarHBondContact CZ3-O 3.39Å; W951-T957 CarbonylContact C-O 3.48Å; W951-T957 WeakPolarHBondContact CA-O 3.46Å; W951-L958 HydrophobicContact CD2-CB 3.91Å; W951-L958 HydrophobicContact CD2-CD1 3.8Å; W951-L958 HydrophobicContact CD2-CG 4.41Å; W951-L958 HydrophobicContact CE3-CB 3.65Å; W951-L958 HydrophobicContact CE3-CD1 4.42Å; W951-L958 HydrophobicContact CG-CD1 3.94Å; W951-L958 HydrophobicContact CH2-CB 3.82Å; W951-L958 HydrophobicContact CH2-CD2 4.44Å; W951-L958 HydrophobicContact CZ2-CB 4.09Å; W951-L958 HydrophobicContact CZ2-CD1 4.29Å; W951-L958 HydrophobicContact CZ2-CD2 4.15Å; W951-L958 HydrophobicContact CZ2-CG 4.41Å; W951-L958 HydrophobicContact CZ3-CB 3.6Å; W951-Y970 HydrophobicContact CH2-CD1 4.35Å; W951-Y970 HydrophobicContact CH2-CE1 4.36Å; W951-H972 HydrophobicContact CH2-CB 3.75Å; W951-H972 HydrophobicContact CZ3-CB 3.63Å; W951-Y1009 VanDerWaalsContact C-CD2 3.48Å; W951-Y1009 WeakPolarHBondContact O-CD2 3.32Å |
| 952 | S | 84.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -84.6 | 132.9 | 167 | 149.9 | 0 | 0 | 0 | 0 | 110.7 | R954 S955 T957 D1013 | S952-R954 VanDerWaalsContact C-N 3.28Å; S952-R954 PolarHBondContact O-N 2.94Å; S952-R954 PolarHBondContact OG-N 3.43Å; S952-S955 WeakPolarHBondContact CB-OG 3.29Å; S952-S955 PolarHBondContact OG-N 3.35Å; S952-S955 PolarHBondContact OG-OG 3.46Å; S952-T957 PolarHBondContact N-O 3.18Å; S952-D1013 WeakPolarHBondContact CB-OD1 3.25Å; S952-D1013 PolarHBondContact OG-OD1 3.24Å; S952-D1013 PolarHBondContact OG-OD2 2.84Å | ||
| 953 | E | 73.5 | Confident | 79.8 | Confident | 146 Ų | 146 | 35.8 Ų | 35.8 | 68% | 0.682 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32.5 | 171.8 | -69.2 | -179 | -167.9 | 0 | 0 | 113.3 | P908 | P908-E953 HydrophobicContact CB-CG 4.34Å; P908-E953 HydrophobicContact CG-CB 4.34Å; P908-E953 HydrophobicContact CG-CG 3.98Å |
| 954 | R | 74.5 | Confident | 80.8 | Confident | 182 Ų | 182 | 36.2 Ų | 36.2 | 69% | 0.687 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -44 | -167.1 | -172.5 | 179.8 | -173.6 | 157.9 | 0.8 | 113.9 | S952 N1011 D1013 | S952-R954 VanDerWaalsContact C-N 3.28Å; S952-R954 PolarHBondContact O-N 2.94Å; S952-R954 PolarHBondContact OG-N 3.43Å; R954-N1011 PolarHBondContact NH1-O 2.94Å; R954-D1013 WeakPolarHBondContact CB-OD2 3.47Å |
| 955 | S | 73 | Confident | 81.6 | Confident | 41 Ų | 41 | 35.6 Ų | 35.6 | 29% | 0.287 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.6 | -177.1 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | S952 T957 D1013 | S952-S955 WeakPolarHBondContact CB-OG 3.29Å; S952-S955 PolarHBondContact OG-N 3.35Å; S952-S955 PolarHBondContact OG-OG 3.46Å; S955-T957 VanDerWaalsContact CB-OG1 3.3Å; S955-T957 WeakPolarHBondContact CB-OG1 3.36Å; S955-T957 PolarHBondContact O-N 3.02Å; S955-T957 PolarHBondContact O-OG1 3.23Å; S955-T957 WeakPolarHBondContact OG-CB 3.44Å; S955-T957 PolarHBondContact OG-OG1 3.41Å; S955-D1013 WeakPolarHBondContact CB-OD2 3.4Å; S955-D1013 PolarHBondContact N-OD2 2.75Å; S955-D1013 PolarHBondContact OG-OD2 2.55Å |
| 956 | Q | 76.7 | Confident | 82.3 | Confident | 55 Ų | 55 | 33.4 Ų | 33.4 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | trans | 55.8 | 34.6 | -173.7 | -53.2 | -166.4 | -11.8 | 0 | 0 | 111.6 | H907 W951 H972 T974 | H907-Q956 VanDerWaalsContact NE2-CB 3.27Å; H907-Q956 WeakPolarHBondContact NE2-CB 3.49Å; H907-Q956 WeakPolarHBondContact NE2-CG 3.42Å; W951-Q956 WeakPolarHBondContact CZ3-O 3.39Å; Q956-H972 HydrophobicContact CB-CB 4.42Å; Q956-H972 WeakPolarHBondContact CB-O 3.4Å; Q956-H972 VanDerWaalsContact O-CB 3.31Å; Q956-H972 WeakPolarHBondContact O-CB 3.48Å; Q956-H972 PolarHBondContact O-N 3.2Å; Q956-H972 PolarHBondContact OE1-O 3.09Å; Q956-T974 PolarHBondContact NE2-OG1 2.62Å; Q956-T974 PolarHBondContact OE1-OG1 3.46Å | ||
| 957 | T | 83.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 124.5 | -177.2 | -50.5 | 0 | 0 | 0 | 0 | 109.8 | W951 S952 S955 L969 Y970 F971 Y1009 | W951-T957 CarbonylContact C-O 3.48Å; W951-T957 WeakPolarHBondContact CA-O 3.46Å; S952-T957 PolarHBondContact N-O 3.18Å; S955-T957 VanDerWaalsContact CB-OG1 3.3Å; S955-T957 WeakPolarHBondContact CB-OG1 3.36Å; S955-T957 PolarHBondContact O-N 3.02Å; S955-T957 PolarHBondContact O-OG1 3.23Å; S955-T957 WeakPolarHBondContact OG-CB 3.44Å; S955-T957 PolarHBondContact OG-OG1 3.41Å; T957-L969 HydrophobicContact CG2-CB 3.98Å; T957-Y970 CarbonylContact C-O 3.49Å; T957-Y970 WeakPolarHBondContact CA-O 3.47Å; T957-F971 HydrophobicContact CG2-CD1 4Å; T957-F971 HydrophobicContact CG2-CD2 4.36Å; T957-F971 HydrophobicContact CG2-CE1 3.85Å; T957-F971 HydrophobicContact CG2-CE2 4.19Å; T957-F971 HydrophobicContact CG2-CG 4.26Å; T957-F971 HydrophobicContact CG2-CZ 3.94Å; T957-F971 VanDerWaalsContact OG1-CD1 3.3Å; T957-F971 WeakPolarHBondContact OG1-CD1 3.45Å; T957-F971 WeakPolarHBondContact OG1-CE1 3.24Å; T957-Y1009 PolarHBondContact O-OH 3.46Å |
| 958 | L | 86.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 113.2 | 172.8 | 178.7 | 67.9 | 0 | 0 | 0 | 109.3 | A914 V923 M949 T950 W951 V960 L969 Y970 | A914-L958 HydrophobicContact CB-CD1 4.43Å; A914-L958 HydrophobicContact CB-CD2 4.1Å; V923-L958 HydrophobicContact CG1-CD2 3.96Å; M949-L958 HydrophobicContact CB-CD1 4.17Å; M949-L958 HydrophobicContact CE-CD1 4.02Å; M949-L958 HydrophobicContact CE-CD2 4.12Å; T950-L958 CarbonylContact O-C 3.5Å; T950-L958 WeakPolarHBondContact O-CA 3.44Å; W951-L958 HydrophobicContact CD2-CB 3.91Å; W951-L958 HydrophobicContact CD2-CD1 3.8Å; W951-L958 HydrophobicContact CD2-CG 4.41Å; W951-L958 HydrophobicContact CE3-CB 3.65Å; W951-L958 HydrophobicContact CE3-CD1 4.42Å; W951-L958 HydrophobicContact CG-CD1 3.94Å; W951-L958 HydrophobicContact CH2-CB 3.82Å; W951-L958 HydrophobicContact CH2-CD2 4.44Å; W951-L958 HydrophobicContact CZ2-CB 4.09Å; W951-L958 HydrophobicContact CZ2-CD1 4.29Å; W951-L958 HydrophobicContact CZ2-CD2 4.15Å; W951-L958 HydrophobicContact CZ2-CG 4.41Å; W951-L958 HydrophobicContact CZ3-CB 3.6Å; L958-V960 HydrophobicContact CD2-CG2 4.01Å; L958-V960 HydrophobicContact CG-CG2 3.84Å; L958-L969 CarbonylContact O-C 3.45Å; L958-L969 WeakPolarHBondContact O-CA 3.44Å; L958-Y970 HydrophobicContact CB-CD1 4.09Å; L958-Y970 HydrophobicContact CD2-CD1 4.48Å; L958-Y970 PolarHBondContact N-O 3.25Å; L958-Y970 PolarHBondContact O-N 3.21Å |
| 959 | A | 88.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 136.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | M949 T950 L967 L968 L969 Y1009 L1015 | M949-A959 CarbonylContact C-O 3.54Å; M949-A959 WeakPolarHBondContact CA-O 3.28Å; T950-A959 HydrophobicContact CG2-CB 3.77Å; T950-A959 PolarHBondContact N-O 2.88Å; T950-A959 PolarHBondContact O-N 3.38Å; A959-L967 HydrophobicContact CB-CD1 3.98Å; A959-L968 CarbonylContact C-O 3.54Å; A959-L968 WeakPolarHBondContact CA-O 3.3Å; A959-L969 HydrophobicContact CB-CD2 3.7Å; A959-Y1009 HydrophobicContact CB-CE2 4.14Å; A959-Y1009 WeakPolarHBondContact CB-OH 3.23Å; A959-L1015 HydrophobicContact CB-CD1 4.21Å; A959-L1015 HydrophobicContact CB-CD2 3.63Å |
| 960 | V | 87 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 118.5 | -178.6 | -175.4 | 0 | 0 | 0 | 0 | 109 | V923 I938 F940 I946 F948 M949 L958 L967 L968 | V923-V960 HydrophobicContact CG2-CG2 4.45Å; I938-V960 HydrophobicContact CD1-CB 4.2Å; I938-V960 HydrophobicContact CD1-CG1 4.14Å; I938-V960 HydrophobicContact CD1-CG2 3.7Å; I938-V960 HydrophobicContact CG2-CG1 4.28Å; F940-V960 HydrophobicContact CZ-CG1 4.23Å; I946-V960 HydrophobicContact CB-CG1 4.16Å; I946-V960 HydrophobicContact CD1-CG1 3.88Å; I946-V960 HydrophobicContact CG1-CG1 3.71Å; I946-V960 HydrophobicContact CG2-CG1 3.41Å; I946-V960 VanDerWaalsContact CG2-CG1 3.41Å; F948-V960 WeakPolarHBondContact O-CA 3.28Å; M949-V960 HydrophobicContact CB-CG2 4.4Å; L958-V960 HydrophobicContact CD2-CG2 4.01Å; L958-V960 HydrophobicContact CG-CG2 3.84Å; V960-L967 CarbonylContact O-C 3.53Å; V960-L967 WeakPolarHBondContact O-CA 2.97Å; V960-L968 PolarHBondContact N-O 3.17Å; V960-L968 PolarHBondContact O-N 3.47Å |
| 961 | G | 85.7 | Confident | 83 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 166.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I946 C947 F948 N966 | I946-G961 CarbonylContact C-O 3.57Å; I946-G961 VanDerWaalsContact CA-O 3.26Å; I946-G961 WeakPolarHBondContact CA-O 3.47Å; C947-G961 PolarHBondContact N-O 2.89Å; C947-G961 VanDerWaalsContact SG-C 3.51Å; F948-G961 VanDerWaalsContact CD1-CA 3.42Å; F948-G961 VanDerWaalsContact CE1-N 3.31Å; F948-G961 PolarHBondContact O-N 3.41Å; G961-N966 CarbonylContact C-O 3.31Å; G961-N966 VanDerWaalsContact CA-O 3.29Å; G961-N966 WeakPolarHBondContact CA-O 3.31Å |
| 962 | S | 83 | Confident | 82.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 159.8 | 177.7 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | D944 T945 C947 K964 G965 N966 | D944-S962 WeakPolarHBondContact OD2-CB 3.27Å; D944-S962 PolarHBondContact OD2-OG 3.14Å; T945-S962 VanDerWaalsContact O-CA 3.24Å; T945-S962 WeakPolarHBondContact O-CA 3.49Å; C947-S962 VanDerWaalsContact SG-CA 3.6Å; C947-S962 PolarHBondContact SG-N 3.14Å; C947-S962 PolarHBondContact SG-O 2.83Å; S962-K964 PolarHBondContact O-N 3.4Å; S962-G965 PolarHBondContact O-N 3.49Å; S962-N966 PolarHBondContact N-O 3.39Å; S962-N966 VanDerWaalsContact OG-CA 3.3Å; S962-N966 WeakPolarHBondContact OG-CA 3.47Å; S962-N966 WeakPolarHBondContact OG-CB 3.39Å; S962-N966 PolarHBondContact OG-N 2.97Å; S962-N966 PolarHBondContact OG-O 3.02Å |
| 963 | I | 81.3 | Confident | 81 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.9 | 174.7 | 51.2 | 164.3 | 0 | 0 | 0 | 114.4 | D944 T945 C947 G965 P1003 | D944-I963 WeakPolarHBondContact OD1-CG1 3.47Å; T945-I963 HydrophobicContact CG2-CD1 4.43Å; T945-I963 PolarHBondContact O-N 3.41Å; T945-I963 WeakPolarHBondContact OG1-CD1 3.5Å; T945-I963 WeakPolarHBondContact OG1-CG1 3.48Å; C947-I963 HydrophobicContact CB-CG2 3.97Å; I963-G965 VanDerWaalsContact C-N 3.33Å; I963-P1003 HydrophobicContact CB-CG 4.38Å; I963-P1003 WeakPolarHBondContact O-CA 3.44Å; I963-P1003 VanDerWaalsContact O-CD 3.27Å; I963-P1003 WeakPolarHBondContact O-CD 3.05Å; I963-P1003 WeakPolarHBondContact O-CG 3.36Å |
| 964 | K | 82.9 | Confident | 79.7 | Confident | 100 Ų | 100 | 39.3 Ų | 39.3 | 44% | 0.435 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 7.8 | 174.2 | -65.7 | 174.9 | -169.6 | 161.8 | 0 | 113.4 | A943 D944 S962 | A943-K964 PolarHBondContact O-NZ 2.95Å; D944-K964 VanDerWaalsContact OD1-CD 3.26Å; D944-K964 WeakPolarHBondContact OD1-CD 3.45Å; D944-K964 WeakPolarHBondContact OD1-CE 3.42Å; D944-K964 WeakPolarHBondContact OD1-CG 3.49Å; D944-K964 IonicContact OD1-NZ 3.74Å; D944-K964 WeakPolarHBondContact OD2-CB 3.45Å; S962-K964 PolarHBondContact O-N 3.4Å |
| 965 | G | 84 | Confident | 77.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 80 | 19.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S962 I963 V999 H1000 K1002 | S962-G965 PolarHBondContact O-N 3.49Å; I963-G965 VanDerWaalsContact C-N 3.33Å; G965-V999 PolarHBondContact O-N 2.65Å; G965-H1000 WeakPolarHBondContact CA-O 3.46Å; G965-H1000 PolarHBondContact O-N 2.72Å; G965-H1000 VanDerWaalsContact O-N 3.08Å; G965-K1002 VanDerWaalsContact CA-O 3.22Å; G965-K1002 WeakPolarHBondContact CA-O 3.5Å; G965-K1002 PolarHBondContact N-O 3.21Å |
| 966 | N | 87.7 | Confident | 75.8 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | trans | -87.6 | 144.8 | 170.5 | -48.8 | -46.7 | 0 | 0 | 0 | 110.3 | F940 D944 G961 S962 I996 I997 G998 | F940-N966 HydrophobicContact CD1-CB 3.7Å; F940-N966 HydrophobicContact CE1-CB 4.17Å; F940-N966 HydrophobicContact CG-CB 4.41Å; D944-N966 PolarHBondContact OD2-ND2 2.64Å; G961-N966 CarbonylContact C-O 3.31Å; G961-N966 VanDerWaalsContact CA-O 3.29Å; G961-N966 WeakPolarHBondContact CA-O 3.31Å; S962-N966 PolarHBondContact N-O 3.39Å; S962-N966 VanDerWaalsContact OG-CA 3.3Å; S962-N966 WeakPolarHBondContact OG-CA 3.47Å; S962-N966 WeakPolarHBondContact OG-CB 3.39Å; S962-N966 PolarHBondContact OG-N 2.97Å; S962-N966 PolarHBondContact OG-O 3.02Å; N966-I996 CarbonylContact C-O 3.54Å; N966-I996 WeakPolarHBondContact CA-O 3.29Å; N966-I997 VanDerWaalsContact OD1-CA 3.3Å; N966-I997 WeakPolarHBondContact OD1-CA 3.22Å; N966-I997 VanDerWaalsContact OD1-CG2 3.31Å; N966-I997 WeakPolarHBondContact OD1-CG2 3.35Å; N966-G998 PolarHBondContact OD1-N 2.81Å | ||
| 967 | L | 87.1 | Confident | 73.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.3 | 176.7 | 172.4 | 71.7 | 0 | 0 | 0 | 109.5 | F948 A959 V960 L969 I996 V999 I1004 L1015 L1017 L1027 | F948-L967 HydrophobicContact CE1-CD1 4.43Å; F948-L967 HydrophobicContact CZ-CD1 3.81Å; A959-L967 HydrophobicContact CB-CD1 3.98Å; V960-L967 CarbonylContact O-C 3.53Å; V960-L967 WeakPolarHBondContact O-CA 2.97Å; L967-L969 HydrophobicContact CD1-CD2 4.42Å; L967-L969 HydrophobicContact CD2-CD2 4.08Å; L967-L969 HydrophobicContact CD2-CG 4.5Å; L967-L969 HydrophobicContact CG-CD2 4.29Å; L967-I996 HydrophobicContact CB-CB 4.23Å; L967-I996 HydrophobicContact CD2-CD1 3.63Å; L967-I996 HydrophobicContact CG-CD1 4.16Å; L967-I996 PolarHBondContact N-O 3.47Å; L967-I996 CarbonylContact O-C 3.58Å; L967-I996 WeakPolarHBondContact O-CA 3.28Å; L967-I996 PolarHBondContact O-N 3.22Å; L967-I996 VanDerWaalsContact O-O 3.1Å; L967-V999 HydrophobicContact CB-CG2 3.93Å; L967-I1004 HydrophobicContact CB-CD1 4.33Å; L967-L1015 HydrophobicContact CD1-CD2 3.93Å; L967-L1015 HydrophobicContact CD2-CD2 3.59Å; L967-L1015 HydrophobicContact CG-CD2 4.4Å; L967-L1017 HydrophobicContact CD1-CD1 4.48Å; L967-L1017 HydrophobicContact CD2-CD1 4.11Å; L967-L1027 HydrophobicContact CD2-CD1 3.29Å |
| 968 | L | 86.7 | Confident | 71.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 126.3 | 174.3 | 179 | 150.1 | 0 | 0 | 0 | 110.1 | I938 F940 A959 V960 I993 I994 P995 | I938-L968 HydrophobicContact CB-CD1 4.35Å; I938-L968 HydrophobicContact CD1-CD2 4.14Å; I938-L968 HydrophobicContact CG1-CD2 4.41Å; I938-L968 HydrophobicContact CG2-CB 4.2Å; I938-L968 HydrophobicContact CG2-CD1 3.35Å; I938-L968 HydrophobicContact CG2-CD2 3.71Å; I938-L968 HydrophobicContact CG2-CG 3.91Å; F940-L968 HydrophobicContact CD1-CB 4.01Å; F940-L968 HydrophobicContact CD1-CD1 4.44Å; F940-L968 HydrophobicContact CE1-CB 3.46Å; F940-L968 VanDerWaalsContact CE1-CB 3.46Å; F940-L968 HydrophobicContact CE1-CD1 4.49Å; F940-L968 HydrophobicContact CZ-CB 4.03Å; A959-L968 CarbonylContact C-O 3.54Å; A959-L968 WeakPolarHBondContact CA-O 3.3Å; V960-L968 PolarHBondContact N-O 3.17Å; V960-L968 PolarHBondContact O-N 3.47Å; L968-I993 HydrophobicContact CD1-CG2 3.44Å; L968-I993 VanDerWaalsContact CD1-CG2 3.44Å; L968-I993 HydrophobicContact CD2-CG2 3.63Å; L968-I993 HydrophobicContact CG-CG2 3.56Å; L968-I994 CarbonylContact C-O 3.39Å; L968-I994 VanDerWaalsContact CA-O 3.32Å; L968-I994 WeakPolarHBondContact CA-O 3.45Å; L968-P995 HydrophobicContact CD1-CB 4.31Å |
| 969 | L | 87.5 | Confident | 68.6 | Low | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119 | 178.7 | -54.3 | 176 | 0 | 0 | 0 | 110.1 | T957 L958 A959 L967 F971 I993 I994 I996 L1015 | T957-L969 HydrophobicContact CG2-CB 3.98Å; L958-L969 CarbonylContact O-C 3.45Å; L958-L969 WeakPolarHBondContact O-CA 3.44Å; A959-L969 HydrophobicContact CB-CD2 3.7Å; L967-L969 HydrophobicContact CD1-CD2 4.42Å; L967-L969 HydrophobicContact CD2-CD2 4.08Å; L967-L969 HydrophobicContact CD2-CG 4.5Å; L967-L969 HydrophobicContact CG-CD2 4.29Å; L969-F971 HydrophobicContact CB-CE2 4.04Å; L969-F971 HydrophobicContact CB-CZ 4.5Å; L969-I993 CarbonylContact O-C 3.6Å; L969-I993 WeakPolarHBondContact O-CA 3.46Å; L969-I994 HydrophobicContact CB-CB 4.24Å; L969-I994 PolarHBondContact N-O 3.13Å; L969-I994 PolarHBondContact O-N 2.98Å; L969-I996 HydrophobicContact CD1-CD1 3.97Å; L969-I996 HydrophobicContact CG-CD1 4.14Å; L969-L1015 HydrophobicContact CD2-CD2 3.97Å |
| 970 | Y | 83.2 | Confident | 66 | Low | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.9 | 176.1 | 169.7 | -93.7 | 0 | 0 | 0 | 110.5 | I925 K934 V936 W951 T957 L958 H972 F991 I993 | I925-Y970 HydrophobicContact CD1-CD1 3.88Å; I925-Y970 HydrophobicContact CD1-CE1 3.09Å; I925-Y970 HydrophobicContact CD1-CE2 4.34Å; I925-Y970 VanDerWaalsContact CD1-OH 3.27Å; I925-Y970 WeakPolarHBondContact CD1-OH 3.34Å; K934-Y970 PolarHBondContact NZ-OH 3.03Å; V936-Y970 HydrophobicContact CB-CE2 4.33Å; V936-Y970 HydrophobicContact CG1-CD2 3.74Å; V936-Y970 HydrophobicContact CG1-CE2 3.62Å; V936-Y970 HydrophobicContact CG2-CE2 3.8Å; W951-Y970 HydrophobicContact CH2-CD1 4.35Å; W951-Y970 HydrophobicContact CH2-CE1 4.36Å; T957-Y970 CarbonylContact C-O 3.49Å; T957-Y970 WeakPolarHBondContact CA-O 3.47Å; L958-Y970 HydrophobicContact CB-CD1 4.09Å; L958-Y970 HydrophobicContact CD2-CD1 4.48Å; L958-Y970 PolarHBondContact N-O 3.25Å; L958-Y970 PolarHBondContact O-N 3.21Å; Y970-H972 HydrophobicContact CD1-CB 4.42Å; Y970-H972 HydrophobicContact CE1-CB 3.87Å; Y970-H972 AromaticContact CE1-ND1 3.87Å; Y970-F991 HydrophobicContact CE2-CB 3.73Å; Y970-F991 HydrophobicContact CE2-CD1 4.03Å; Y970-F991 HydrophobicContact CE2-CG 4.19Å; Y970-F991 AromaticContact CZ-CD1 3.74Å; Y970-F991 WeakPolarHBondContact OH-CD1 3.3Å; Y970-F991 WeakPolarHBondContact OH-CE1 3.06Å; Y970-I993 HydrophobicContact CD2-CD1 4.38Å; Y970-I993 HydrophobicContact CD2-CG1 3.81Å |
| 971 | F | 78.5 | Confident | 63.2 | Low | 50 Ų | 50 | 69.5 Ų | 69.5 | 22% | 0.219 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 111.6 | 180 | -65.1 | -95.5 | 0 | 0 | 0 | 110.4 | T957 L969 R992 I994 | T957-F971 HydrophobicContact CG2-CD1 4Å; T957-F971 HydrophobicContact CG2-CD2 4.36Å; T957-F971 HydrophobicContact CG2-CE1 3.85Å; T957-F971 HydrophobicContact CG2-CE2 4.19Å; T957-F971 HydrophobicContact CG2-CG 4.26Å; T957-F971 HydrophobicContact CG2-CZ 3.94Å; T957-F971 VanDerWaalsContact OG1-CD1 3.3Å; T957-F971 WeakPolarHBondContact OG1-CD1 3.45Å; T957-F971 WeakPolarHBondContact OG1-CE1 3.24Å; L969-F971 HydrophobicContact CB-CE2 4.04Å; L969-F971 HydrophobicContact CB-CZ 4.5Å; F971-R992 HydrophobicContact CB-CB 4.2Å; F971-R992 HydrophobicContact CD2-CB 4.02Å; F971-R992 HydrophobicContact CD2-CG 4.07Å; F971-R992 HydrophobicContact CG-CB 4.4Å; F971-R992 PolarHBondContact N-O 3.39Å; F971-I994 HydrophobicContact CD2-CD1 4.42Å; F971-I994 HydrophobicContact CD2-CG1 4.48Å; F971-I994 HydrophobicContact CE2-CD1 3.39Å; F971-I994 HydrophobicContact CE2-CG1 3.77Å; F971-I994 HydrophobicContact CZ-CD1 3.89Å |
| 972 | H | 70.4 | Confident | 60.7 | Low | 20 Ų | 20 | 77.5 Ų | 77.5 | 9% | 0.093 | 41% | 0.41 | C | S | . | . | trans | -86.9 | 129 | 175.8 | -165.1 | 57.2 | 0 | 0 | 0 | 110.2 | H907 W951 Q956 Y970 T974 | H907-H972 AromaticContact CD2-CD2 3.94Å; W951-H972 HydrophobicContact CH2-CB 3.75Å; W951-H972 HydrophobicContact CZ3-CB 3.63Å; Q956-H972 HydrophobicContact CB-CB 4.42Å; Q956-H972 WeakPolarHBondContact CB-O 3.4Å; Q956-H972 VanDerWaalsContact O-CB 3.31Å; Q956-H972 WeakPolarHBondContact O-CB 3.48Å; Q956-H972 PolarHBondContact O-N 3.2Å; Q956-H972 PolarHBondContact OE1-O 3.09Å; Y970-H972 HydrophobicContact CD1-CB 4.42Å; Y970-H972 HydrophobicContact CE1-CB 3.87Å; Y970-H972 AromaticContact CE1-ND1 3.87Å; H972-T974 VanDerWaalsContact CD2-CG2 3.49Å; H972-T974 WeakPolarHBondContact CD2-CG2 3.47Å; H972-T974 WeakPolarHBondContact NE2-CG2 3.24Å | ||
| 973 | R | 59.2 | Low | 58.4 | Low | 230 Ų | 230 | 85.5 Ų | 85.5 | 87% | 0.868 | 45% | 0.445 | S | S | * | . | trans | -114.8 | 111.3 | 174.2 | -80.2 | -173.2 | 175.8 | -176.2 | -2 | 110.2 | ||||
| 974 | T | 46.9 | Very low | 55.9 | Low | 59 Ų | 59 | 87.9 Ų | 87.9 | 36% | 0.362 | 47% | 0.465 | S | S | . | . | trans | -104.6 | 78.6 | 173.4 | 49 | 0 | 0 | 0 | 0 | 110.8 | Q956 H972 | Q956-T974 PolarHBondContact NE2-OG1 2.62Å; Q956-T974 PolarHBondContact OE1-OG1 3.46Å; H972-T974 VanDerWaalsContact CD2-CG2 3.49Å; H972-T974 WeakPolarHBondContact CD2-CG2 3.47Å; H972-T974 WeakPolarHBondContact NE2-CG2 3.24Å | ||
| 975 | S | 36.1 | Very low | 53.5 | Low | 93 Ų | 93 | 90 Ų | 90 | 65% | 0.65 | 49% | 0.486 | S | S | * | . | trans | -159.4 | 104.7 | 166.2 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | H977 | S975-H977 PolarHBondContact OG-N 3.19Š| ||
| 976 | R | 30.2 | Very low | 50.7 | Low | 251 Ų | 251 | 93.1 Ų | 93.1 | 95% | 0.947 | 52% | 0.518 | S | S | * | . | trans | -95 | 78.4 | 149.7 | -77.8 | -175.4 | -179.7 | -175.4 | 2 | 107 | ||||
| 977 | H | 35.8 | Very low | 47.9 | Very low | 171 Ų | 171 | 101.6 Ų | 101.6 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | trans | -115.8 | 106.2 | 164.2 | -87.3 | -73.4 | 0 | 0 | 0 | 110.4 | S975 | S975-H977 PolarHBondContact OG-N 3.19Š| ||
| 978 | A | 31 | Very low | 45 | Very low | 95 Ų | 95 | 108.3 Ų | 108.3 | 79% | 0.785 | 59% | 0.593 | S | S | * | * | trans | 50.6 | 74.7 | 146 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 979 | A | 28.9 | Very low | 42.3 | Very low | 93 Ų | 93 | 116.6 Ų | 116.6 | 77% | 0.769 | 64% | 0.636 | S | S | * | * | trans | -107.8 | 132.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 980 | P | 33.3 | Very low | 39.7 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 61% | 0.61 | 67% | 0.674 | S | S | * | * | trans | -69.4 | 155.9 | 178.8 | 29.3 | -33 | 0 | 0 | 0 | 111.3 | L982 | P980-L982 PolarHBondContact O-N 2.83Š| ||
| 981 | P | 28.4 | Very low | 38.4 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 76% | 0.76 | 69% | 0.692 | S | S | * | * | trans | -73 | 118.3 | -161.7 | 30.2 | -34.1 | 0 | 0 | 0 | 111.9 | ||||
| 982 | L | 32.3 | Very low | 37.7 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 89% | 0.885 | 71% | 0.708 | S | S | * | * | trans | -126 | 95.5 | 158 | -80.2 | 167.7 | 0 | 0 | 0 | 109.6 | P980 | P980-L982 PolarHBondContact O-N 2.83Š| ||
| 983 | K | 36 | Very low | 37.9 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 73% | 0.726 | 72% | 0.719 | S | S | * | * | trans | 43.9 | 135.6 | 159.6 | -69.7 | -173.7 | 175.7 | -174.3 | 0 | 120.9 | G829 V985 | G829-K983 PolarHBondContact O-NZ 3.24Å; K983-V985 PolarHBondContact O-N 2.83Å | ||
| 984 | P | 28.4 | Very low | 38.9 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | trans | -88.9 | 109.5 | -173.6 | 35 | -29.7 | 0 | 0 | 0 | 111.8 | ||||
| 985 | V | 31 | Very low | 40.4 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 87% | 0.873 | 69% | 0.689 | S | S | * | * | trans | -148.2 | 103.1 | 163.2 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | K983 | K983-V985 PolarHBondContact O-N 2.83Š| ||
| 986 | G | 27.3 | Very low | 42.7 | Very low | 66 Ų | 66 | 122.6 Ų | 122.6 | 68% | 0.68 | 67% | 0.666 | S | S | * | * | trans | 83 | 110.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 987 | Q | 27.1 | Very low | 45.1 | Very low | 186 Ų | 186 | 116 Ų | 116 | 87% | 0.869 | 65% | 0.648 | S | S | * | * | trans | 81.8 | 112.1 | 134.9 | -67.8 | 170.9 | -18.1 | 0 | 0 | 120.8 | ||||
| 988 | L | 28 | Very low | 47.1 | Very low | 141 Ų | 141 | 110.3 Ų | 110.3 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | trans | 66.4 | 79.2 | 142 | -66.8 | 154.3 | 0 | 0 | 0 | 118 | L990 | L988-L990 VanDerWaalsContact C-N 3.29Å; L988-L990 PolarHBondContact O-N 3.06Å | ||
| 989 | L | 29.5 | Very low | 49.7 | Very low | 174 Ų | 174 | 107.4 Ų | 107.4 | 91% | 0.911 | 61% | 0.608 | S | S | * | * | trans | -67.8 | 91.7 | 155.2 | -79.1 | 163.6 | 0 | 0 | 0 | 108.6 | F991 | L989-F991 PolarHBondContact O-N 3.31Š| ||
| 990 | L | 33.3 | Very low | 52.5 | Low | 152 Ų | 152 | 103.3 Ų | 103.3 | 80% | 0.796 | 57% | 0.573 | S | S | * | * | trans | -64.7 | 114.3 | -177.8 | -82.7 | 150.3 | 0 | 0 | 0 | 111.5 | L988 | L988-L990 VanDerWaalsContact C-N 3.29Å; L988-L990 PolarHBondContact O-N 3.06Å | ||
| 991 | F | 54.8 | Low | 54.9 | Low | 89 Ų | 89 | 103.5 Ų | 103.5 | 39% | 0.39 | 58% | 0.577 | S | S | . | * | trans | -63.4 | 127.7 | 157.9 | -61 | -94.7 | 0 | 0 | 0 | 107.9 | K934 Y970 L989 | K934-F991 HydrophobicContact CD-CE1 4.35Å; K934-F991 HydrophobicContact CD-CE2 4.18Å; K934-F991 HydrophobicContact CD-CZ 3.88Å; K934-F991 VanDerWaalsContact NZ-CD1 3.27Å; K934-F991 VanDerWaalsContact NZ-CE1 3.25Å; Y970-F991 HydrophobicContact CE2-CB 3.73Å; Y970-F991 HydrophobicContact CE2-CD1 4.03Å; Y970-F991 HydrophobicContact CE2-CG 4.19Å; Y970-F991 AromaticContact CZ-CD1 3.74Å; Y970-F991 WeakPolarHBondContact OH-CD1 3.3Å; Y970-F991 WeakPolarHBondContact OH-CE1 3.06Å; L989-F991 PolarHBondContact O-N 3.31Å | ||
| 992 | R | 64.9 | Low | 57.7 | Low | 144 Ų | 144 | 102.2 Ų | 102.2 | 54% | 0.543 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.2 | -177.9 | -172.2 | 179.7 | -178.7 | 179.3 | -2.2 | 109.3 | F971 I994 | F971-R992 HydrophobicContact CB-CB 4.2Å; F971-R992 HydrophobicContact CD2-CB 4.02Å; F971-R992 HydrophobicContact CD2-CG 4.07Å; F971-R992 HydrophobicContact CG-CB 4.4Å; F971-R992 PolarHBondContact N-O 3.39Å; R992-I994 HydrophobicContact CG-CG1 4.31Å |
| 993 | I | 74 | Confident | 60.3 | Low | 63 Ų | 63 | 95.7 Ų | 95.7 | 32% | 0.323 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.9 | 174.9 | -67.8 | 169.3 | 0 | 0 | 0 | 107.2 | V936 L968 L969 Y970 | V936-I993 HydrophobicContact CG1-CD1 3.9Å; L968-I993 HydrophobicContact CD1-CG2 3.44Å; L968-I993 VanDerWaalsContact CD1-CG2 3.44Å; L968-I993 HydrophobicContact CD2-CG2 3.63Å; L968-I993 HydrophobicContact CG-CG2 3.56Å; L969-I993 CarbonylContact O-C 3.6Å; L969-I993 WeakPolarHBondContact O-CA 3.46Å; Y970-I993 HydrophobicContact CD2-CD1 4.38Å; Y970-I993 HydrophobicContact CD2-CG1 3.81Å |
| 994 | I | 80.1 | Confident | 62.7 | Low | 34 Ų | 34 | 87.9 Ų | 87.9 | 17% | 0.174 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 100.7 | 177 | -55.2 | -178.6 | 0 | 0 | 0 | 108.5 | L968 L969 F971 R992 I996 | L968-I994 CarbonylContact C-O 3.39Å; L968-I994 VanDerWaalsContact CA-O 3.32Å; L968-I994 WeakPolarHBondContact CA-O 3.45Å; L969-I994 HydrophobicContact CB-CB 4.24Å; L969-I994 PolarHBondContact N-O 3.13Å; L969-I994 PolarHBondContact O-N 2.98Å; F971-I994 HydrophobicContact CD2-CD1 4.42Å; F971-I994 HydrophobicContact CD2-CG1 4.48Å; F971-I994 HydrophobicContact CE2-CD1 3.39Å; F971-I994 HydrophobicContact CE2-CG1 3.77Å; F971-I994 HydrophobicContact CZ-CD1 3.89Å; R992-I994 HydrophobicContact CG-CG1 4.31Å; I994-I996 HydrophobicContact CG2-CG1 4.28Å |
| 995 | P | 79.1 | Confident | 65.4 | Low | 67 Ų | 67 | 84 Ų | 84 | 44% | 0.435 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 134 | 171.6 | 31.3 | -31.4 | 0 | 0 | 0 | 110.8 | L968 | L968-P995 HydrophobicContact CD1-CB 4.31Å |
| 996 | I | 82.8 | Confident | 68 | Low | 33 Ų | 33 | 78.9 Ų | 78.9 | 17% | 0.169 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 105.1 | 178.6 | -54.8 | 160.9 | 0 | 0 | 0 | 106.6 | N966 L967 L969 I994 V999 | N966-I996 CarbonylContact C-O 3.54Å; N966-I996 WeakPolarHBondContact CA-O 3.29Å; L967-I996 HydrophobicContact CB-CB 4.23Å; L967-I996 HydrophobicContact CD2-CD1 3.63Å; L967-I996 HydrophobicContact CG-CD1 4.16Å; L967-I996 PolarHBondContact N-O 3.47Å; L967-I996 CarbonylContact O-C 3.58Å; L967-I996 WeakPolarHBondContact O-CA 3.28Å; L967-I996 PolarHBondContact O-N 3.22Å; L967-I996 VanDerWaalsContact O-O 3.1Å; L969-I996 HydrophobicContact CD1-CD1 3.97Å; L969-I996 HydrophobicContact CG-CD1 4.14Å; I994-I996 HydrophobicContact CG2-CG1 4.28Å; I996-V999 HydrophobicContact CB-CG2 4.16Å; I996-V999 HydrophobicContact CG2-CG2 3.41Å; I996-V999 VanDerWaalsContact CG2-CG2 3.41Å |
| 997 | I | 81.5 | Confident | 70.9 | Confident | 112 Ų | 112 | 76 Ų | 76 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | trans | -92.3 | 130.9 | -173.4 | -60.6 | 174.3 | 0 | 0 | 0 | 108.9 | N966 | N966-I997 VanDerWaalsContact OD1-CA 3.3Å; N966-I997 WeakPolarHBondContact OD1-CA 3.22Å; N966-I997 VanDerWaalsContact OD1-CG2 3.31Å; N966-I997 WeakPolarHBondContact OD1-CG2 3.35Å | ||
| 998 | G | 78.4 | Confident | 73.9 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | trans | 77 | 35.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N966 H1000 | N966-G998 PolarHBondContact OD1-N 2.81Å; G998-H1000 VanDerWaalsContact C-N 3.27Å | ||
| 999 | V | 85 | Confident | 76.7 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -62.3 | -41.7 | 170.5 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | G965 L967 I996 L1017 L1027 | G965-V999 PolarHBondContact O-N 2.65Å; L967-V999 HydrophobicContact CB-CG2 3.93Å; I996-V999 HydrophobicContact CB-CG2 4.16Å; I996-V999 HydrophobicContact CG2-CG2 3.41Å; I996-V999 VanDerWaalsContact CG2-CG2 3.41Å; V999-L1017 HydrophobicContact CG1-CD1 3.95Å; V999-L1027 HydrophobicContact CG1-CD1 4.32Å; V999-L1027 HydrophobicContact CG1-CD2 4.29Å |
| 1000 | H | 87.8 | Confident | 79.4 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -126.7 | 156.8 | 174.5 | -77 | -79.8 | 0 | 0 | 0 | 110.6 | G965 G998 K1002 I1004 S1019 D1021 T1025 | G965-H1000 WeakPolarHBondContact CA-O 3.46Å; G965-H1000 PolarHBondContact O-N 2.72Å; G965-H1000 VanDerWaalsContact O-N 3.08Å; G998-H1000 VanDerWaalsContact C-N 3.27Å; H1000-K1002 VanDerWaalsContact C-N 3.32Å; H1000-I1004 HydrophobicContact CB-CG1 4.38Å; H1000-S1019 WeakPolarHBondContact CB-OG 3.29Å; H1000-S1019 WeakPolarHBondContact ND1-CB 3.49Å; H1000-D1021 WeakPolarHBondContact CA-OD2 3.3Å; H1000-D1021 WeakPolarHBondContact CB-OD2 3.32Å; H1000-D1021 IonicContact CE1-OD1 3.62Å; H1000-D1021 IonicContact CG-OD1 2.96Å; H1000-D1021 IonicContact CG-OD2 3.58Å; H1000-D1021 VanDerWaalsContact ND1-CG 3.32Å; H1000-D1021 IonicContact ND1-OD1 2.83Å; H1000-D1021 PolarHBondContact ND1-OD1 3.25Å; H1000-D1021 IonicContact ND1-OD2 2.73Å; H1000-D1021 PolarHBondContact ND1-OD2 3.15Å; H1000-D1021 VanDerWaalsContact ND1-OD2 3.09Å; H1000-T1025 PolarHBondContact NE2-OG1 2.9Å |
| 1001 | S | 84 | Confident | 81.5 | Confident | 98 Ų | 98 | 51 Ų | 51 | 69% | 0.685 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -85.4 | -9.7 | 178.8 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | D1021 | S1001-D1021 PolarHBondContact N-OD2 2.83Å; S1001-D1021 VanDerWaalsContact OG-CB 3.22Å; S1001-D1021 WeakPolarHBondContact OG-CB 3.28Å; S1001-D1021 PolarHBondContact OG-OD2 3.46Å; S1001-D1021 VanDerWaalsContact OG-OD2 3.12Å |
| 1002 | K | 87.2 | Confident | 82.6 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -138 | 173.7 | -176.1 | -70 | -167 | -167.5 | 169.1 | 0 | 109.8 | G965 H1000 I1004 S1019 E1020 D1021 | G965-K1002 VanDerWaalsContact CA-O 3.22Å; G965-K1002 WeakPolarHBondContact CA-O 3.5Å; G965-K1002 PolarHBondContact N-O 3.21Å; H1000-K1002 VanDerWaalsContact C-N 3.32Å; K1002-I1004 PolarHBondContact O-N 2.83Å; K1002-S1019 PolarHBondContact O-OG 2.9Å; K1002-E1020 HydrophobicContact CB-CB 3.96Å; K1002-E1020 HydrophobicContact CD-CB 3.96Å; K1002-E1020 WeakPolarHBondContact CD-O 3.47Å; K1002-E1020 PolarHBondContact NZ-O 3.48Å; K1002-E1020 VanDerWaalsContact NZ-O 3.07Å; K1002-D1021 HydrophobicContact CB-CB 4.03Å; K1002-D1021 HydrophobicContact CD-CB 4.15Å; K1002-D1021 HydrophobicContact CG-CB 4.04Å |
| 1003 | P | 86.4 | Confident | 83.5 | Confident | 32 Ų | 32 | 44.3 Ų | 44.3 | 21% | 0.208 | 26% | 0.258 | C | S | . | . | trans | -51 | 137.5 | -179.2 | -26.4 | 31.9 | 0 | 0 | 0 | 112.7 | I963 S1019 E1020 | I963-P1003 HydrophobicContact CB-CG 4.38Å; I963-P1003 WeakPolarHBondContact O-CA 3.44Å; I963-P1003 VanDerWaalsContact O-CD 3.27Å; I963-P1003 WeakPolarHBondContact O-CD 3.05Å; I963-P1003 WeakPolarHBondContact O-CG 3.36Å; P1003-S1019 WeakPolarHBondContact O-CA 3.42Å; P1003-S1019 WeakPolarHBondContact O-CB 2.93Å; P1003-S1019 PolarHBondContact O-OG 3.16Å; P1003-E1020 HydrophobicContact CB-CG 4.41Å; P1003-E1020 PolarHBondContact O-N 3.49Å; P1003-E1020 VanDerWaalsContact O-N 3.17Å | ||
| 1004 | I | 86.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 123.7 | 168.2 | -60.4 | 158.4 | 0 | 0 | 0 | 107 | C947 F948 L967 H1000 K1002 L1017 S1018 | C947-I1004 PolarHBondContact SG-O 3.42Å; F948-I1004 HydrophobicContact CD1-CB 3.67Å; F948-I1004 HydrophobicContact CD1-CG2 3.44Å; F948-I1004 VanDerWaalsContact CD1-CG2 3.44Å; F948-I1004 HydrophobicContact CE1-CB 3.48Å; F948-I1004 VanDerWaalsContact CE1-CB 3.48Å; F948-I1004 HydrophobicContact CE1-CD1 3.78Å; F948-I1004 HydrophobicContact CE1-CG1 4.2Å; F948-I1004 HydrophobicContact CE1-CG2 3.06Å; F948-I1004 HydrophobicContact CG-CG2 4.42Å; F948-I1004 HydrophobicContact CZ-CG2 3.82Å; L967-I1004 HydrophobicContact CB-CD1 4.33Å; H1000-I1004 HydrophobicContact CB-CG1 4.38Å; K1002-I1004 PolarHBondContact O-N 2.83Å; I1004-L1017 HydrophobicContact CD1-CD1 4.23Å; I1004-L1017 HydrophobicContact CG2-CB 4.14Å; I1004-L1017 HydrophobicContact CG2-CD2 4.15Å; I1004-S1018 CarbonylContact C-O 3.44Å; I1004-S1018 WeakPolarHBondContact CA-O 3.39Å; I1004-S1018 VanDerWaalsContact CG2-O 3.25Å; I1004-S1018 WeakPolarHBondContact CG2-O 3Å |
| 1005 | T | 83.9 | Confident | 84.5 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -37.3 | -171.8 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | S1018 S1019 E1020 P1043 | T1005-S1018 PolarHBondContact N-O 3.47Å; T1005-S1018 VanDerWaalsContact OG1-CB 3.29Å; T1005-S1018 WeakPolarHBondContact OG1-CB 3.44Å; T1005-S1018 PolarHBondContact OG1-O 2.86Å; T1005-S1018 VanDerWaalsContact OG1-O 3.08Å; T1005-S1018 PolarHBondContact OG1-OG 3.42Å; T1005-S1019 PolarHBondContact OG1-N 3.2Å; T1005-E1020 HydrophobicContact CG2-CG 3.57Å; T1005-P1043 PolarHBondContact OG1-O 3.03Å |
| 1006 | D | 86.6 | Confident | 85 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 19% | 0.193 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 168.7 | 175.3 | -158.8 | 8.4 | 0 | 0 | 0 | 111.7 | L1017 S1018 K1045 L1046 | D1006-L1017 WeakPolarHBondContact O-CA 3.29Å; D1006-S1018 PolarHBondContact N-OG 3.43Å; D1006-S1018 PolarHBondContact O-N 3.5Å; D1006-S1018 PolarHBondContact O-OG 2.79Å; D1006-K1045 WeakPolarHBondContact OD2-CA 3.21Å; D1006-L1046 HydrophobicContact CB-CG 4.49Å; D1006-L1046 PolarHBondContact OD2-N 3.11Å |
| 1007 | G | 88.3 | Confident | 85.4 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 140.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T950 I1016 | T950-G1007 WeakPolarHBondContact CB-O 3.35Å; T950-G1007 WeakPolarHBondContact CG2-O 3.48Å; T950-G1007 PolarHBondContact OG1-O 3.45Å; G1007-I1016 CarbonylContact C-O 3.55Å; G1007-I1016 WeakPolarHBondContact CA-O 3.39Å |
| 1008 | V | 88.7 | Confident | 85.8 | Confident | 27 Ų | 27 | 31.5 Ų | 31.5 | 16% | 0.164 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.3 | -179.5 | 67 | 0 | 0 | 0 | 0 | 111.1 | I1016 L1046 | V1008-I1016 HydrophobicContact CG1-CB 3.96Å; V1008-I1016 HydrophobicContact CG1-CD1 4.4Å; V1008-I1016 HydrophobicContact CG1-CG1 4.4Å; V1008-I1016 PolarHBondContact N-O 3.07Å; V1008-I1016 PolarHBondContact O-N 3.11Å; V1008-L1046 HydrophobicContact CG1-CB 4Å |
| 1009 | Y | 88.4 | Confident | 86.4 | Confident | 24 Ų | 24 | 29 Ų | 29 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 141 | 171.2 | -75.9 | -81.8 | 0 | 0 | 0 | 110.8 | T950 W951 T957 A959 Q1014 L1015 | T950-Y1009 HydrophobicContact CG2-CD2 3.92Å; T950-Y1009 HydrophobicContact CG2-CE2 3.69Å; T950-Y1009 WeakPolarHBondContact O-CE2 3.47Å; W951-Y1009 VanDerWaalsContact C-CD2 3.48Å; W951-Y1009 WeakPolarHBondContact O-CD2 3.32Å; T957-Y1009 PolarHBondContact O-OH 3.46Å; A959-Y1009 HydrophobicContact CB-CE2 4.14Å; A959-Y1009 WeakPolarHBondContact CB-OH 3.23Å; Y1009-Q1014 CarbonylContact C-O 3.59Å; Y1009-Q1014 VanDerWaalsContact CA-O 3.31Å; Y1009-Q1014 WeakPolarHBondContact CA-O 3.5Å; Y1009-L1015 HydrophobicContact CD1-CB 4.05Å; Y1009-L1015 HydrophobicContact CD1-CD1 4.34Å; Y1009-L1015 HydrophobicContact CD2-CD1 4.24Å; Y1009-L1015 HydrophobicContact CE1-CB 3.82Å; Y1009-L1015 HydrophobicContact CE1-CD1 4.19Å; Y1009-L1015 HydrophobicContact CE1-CG 4.43Å; Y1009-L1015 HydrophobicContact CE2-CD1 4.11Å; Y1009-L1015 HydrophobicContact CG-CD1 4.38Å |
| 1010 | T | 85.1 | Confident | 86.5 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.043 | 17% | 0.172 | C | C | . | . | trans | -82.9 | 168.5 | 167 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | N1012 D1013 Q1014 I1016 Y1048 L1078 | T1010-N1012 PolarHBondContact O-N 2.95Å; T1010-N1012 PolarHBondContact OG1-N 3.31Å; T1010-D1013 WeakPolarHBondContact O-CA 3.33Å; T1010-D1013 PolarHBondContact O-N 3.36Å; T1010-Q1014 HydrophobicContact CG2-CB 4.13Å; T1010-Q1014 PolarHBondContact N-O 3.38Å; T1010-Q1014 VanDerWaalsContact OG1-CB 3.31Å; T1010-Q1014 WeakPolarHBondContact OG1-CB 3.49Å; T1010-Q1014 PolarHBondContact OG1-N 3.14Å; T1010-Q1014 VanDerWaalsContact OG1-N 3.16Å; T1010-I1016 HydrophobicContact CG2-CD1 3.76Å; T1010-I1016 HydrophobicContact CG2-CG1 4.06Å; T1010-Y1048 HydrophobicContact CG2-CD1 4.38Å; T1010-Y1048 HydrophobicContact CG2-CD2 3.83Å; T1010-Y1048 HydrophobicContact CG2-CE1 4.46Å; T1010-Y1048 HydrophobicContact CG2-CE2 3.92Å; T1010-Y1048 HydrophobicContact CG2-CG 4.07Å; T1010-L1078 HydrophobicContact CG2-CD1 4.29Å | ||
| 1011 | N | 78.3 | Confident | 86.5 | Confident | 70 Ų | 70 | 33.1 Ų | 33.1 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.5 | 175 | -65.9 | -5.7 | 0 | 0 | 0 | 113.5 | R954 Y1048 N1050 | R954-N1011 PolarHBondContact NH1-O 2.94Å; N1011-Y1048 HydrophobicContact CB-CE1 4.34Å; N1011-N1050 WeakPolarHBondContact ND2-CB 3.49Å; N1011-N1050 PolarHBondContact ND2-ND2 3.3Å |
| 1012 | N | 77.7 | Confident | 86.8 | Confident | 80 Ų | 80 | 31.5 Ų | 31.5 | 43% | 0.428 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 13.9 | 175.6 | -66.4 | -18.4 | 0 | 0 | 0 | 112.6 | T1010 Q1014 | T1010-N1012 PolarHBondContact O-N 2.95Å; T1010-N1012 PolarHBondContact OG1-N 3.31Å; N1012-Q1014 HydrophobicContact CB-CG 4.35Å; N1012-Q1014 PolarHBondContact O-N 3.44Å |
| 1013 | D | 82.8 | Confident | 86.7 | Confident | 13 Ų | 13 | 27.5 Ų | 27.5 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | trans | 60.2 | 19.5 | -176.2 | -93.8 | -7.8 | 0 | 0 | 0 | 114.9 | S952 R954 S955 T1010 P1029 | S952-D1013 WeakPolarHBondContact CB-OD1 3.25Å; S952-D1013 PolarHBondContact OG-OD1 3.24Å; S952-D1013 PolarHBondContact OG-OD2 2.84Å; R954-D1013 WeakPolarHBondContact CB-OD2 3.47Å; S955-D1013 WeakPolarHBondContact CB-OD2 3.4Å; S955-D1013 PolarHBondContact N-OD2 2.75Å; S955-D1013 PolarHBondContact OG-OD2 2.55Å; T1010-D1013 WeakPolarHBondContact O-CA 3.33Å; T1010-D1013 PolarHBondContact O-N 3.36Å; D1013-P1029 HydrophobicContact CB-CB 4.05Å; D1013-P1029 HydrophobicContact CB-CG 3.8Å; D1013-P1029 WeakPolarHBondContact O-CA 3.34Å; D1013-P1029 WeakPolarHBondContact O-CG 3.09Å | ||
| 1014 | Q | 86.8 | Confident | 86.8 | Confident | 38 Ų | 38 | 26 Ų | 26 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | trans | -77 | 132.9 | 171.5 | -56.6 | 172.8 | -6.7 | 0 | 0 | 109.2 | Y1009 T1010 N1012 V1026 L1027 L1034 | Y1009-Q1014 CarbonylContact C-O 3.59Å; Y1009-Q1014 VanDerWaalsContact CA-O 3.31Å; Y1009-Q1014 WeakPolarHBondContact CA-O 3.5Å; T1010-Q1014 HydrophobicContact CG2-CB 4.13Å; T1010-Q1014 PolarHBondContact N-O 3.38Å; T1010-Q1014 VanDerWaalsContact OG1-CB 3.31Å; T1010-Q1014 WeakPolarHBondContact OG1-CB 3.49Å; T1010-Q1014 PolarHBondContact OG1-N 3.14Å; T1010-Q1014 VanDerWaalsContact OG1-N 3.16Å; N1012-Q1014 HydrophobicContact CB-CG 4.35Å; N1012-Q1014 PolarHBondContact O-N 3.44Å; Q1014-V1026 HydrophobicContact CB-CG1 4.14Å; Q1014-L1027 CarbonylContact C-O 3.56Å; Q1014-L1027 WeakPolarHBondContact CA-O 3.05Å; Q1014-L1027 WeakPolarHBondContact CB-O 3.42Å; Q1014-L1034 HydrophobicContact CB-CD1 4.37Å; Q1014-L1034 HydrophobicContact CG-CD1 3.84Å | ||
| 1015 | L | 88.9 | Confident | 86.9 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 112.3 | -177 | 174.8 | 64 | 0 | 0 | 0 | 110.6 | T950 A959 L967 L969 Y1009 L1017 L1027 | T950-L1015 HydrophobicContact CG2-CD1 3.64Å; A959-L1015 HydrophobicContact CB-CD1 4.21Å; A959-L1015 HydrophobicContact CB-CD2 3.63Å; L967-L1015 HydrophobicContact CD1-CD2 3.93Å; L967-L1015 HydrophobicContact CD2-CD2 3.59Å; L967-L1015 HydrophobicContact CG-CD2 4.4Å; L969-L1015 HydrophobicContact CD2-CD2 3.97Å; Y1009-L1015 HydrophobicContact CD1-CB 4.05Å; Y1009-L1015 HydrophobicContact CD1-CD1 4.34Å; Y1009-L1015 HydrophobicContact CD2-CD1 4.24Å; Y1009-L1015 HydrophobicContact CE1-CB 3.82Å; Y1009-L1015 HydrophobicContact CE1-CD1 4.19Å; Y1009-L1015 HydrophobicContact CE1-CG 4.43Å; Y1009-L1015 HydrophobicContact CE2-CD1 4.11Å; Y1009-L1015 HydrophobicContact CG-CD1 4.38Å; L1015-L1017 HydrophobicContact CD1-CD2 3.91Å; L1015-L1017 HydrophobicContact CD2-CD2 3.98Å; L1015-L1017 HydrophobicContact CD2-CG 4.46Å; L1015-L1017 HydrophobicContact CG-CD2 3.74Å; L1015-L1017 HydrophobicContact CG-CG 4.16Å; L1015-L1027 HydrophobicContact CB-CB 4.23Å; L1015-L1027 HydrophobicContact CD2-CD1 4.26Å; L1015-L1027 PolarHBondContact N-O 3.46Å; L1015-L1027 WeakPolarHBondContact O-CA 3.38Å; L1015-L1027 WeakPolarHBondContact O-CB 3.24Å; L1015-L1027 PolarHBondContact O-N 3.27Å |
| 1016 | I | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.9 | 175.9 | -46.7 | -175.1 | 0 | 0 | 0 | 108.5 | G1007 V1008 T1010 V1024 T1025 V1026 L1046 V1064 L1078 | G1007-I1016 CarbonylContact C-O 3.55Å; G1007-I1016 WeakPolarHBondContact CA-O 3.39Å; V1008-I1016 HydrophobicContact CG1-CB 3.96Å; V1008-I1016 HydrophobicContact CG1-CD1 4.4Å; V1008-I1016 HydrophobicContact CG1-CG1 4.4Å; V1008-I1016 PolarHBondContact N-O 3.07Å; V1008-I1016 PolarHBondContact O-N 3.11Å; T1010-I1016 HydrophobicContact CG2-CD1 3.76Å; T1010-I1016 HydrophobicContact CG2-CG1 4.06Å; I1016-V1024 HydrophobicContact CG2-CG1 3.79Å; I1016-T1025 CarbonylContact C-O 3.5Å; I1016-T1025 VanDerWaalsContact CA-O 3.29Å; I1016-T1025 WeakPolarHBondContact CA-O 3.48Å; I1016-V1026 HydrophobicContact CD1-CG2 4.44Å; I1016-V1026 HydrophobicContact CG1-CG1 4.27Å; I1016-V1026 HydrophobicContact CG1-CG2 4.14Å; I1016-V1026 HydrophobicContact CG2-CG2 4.23Å; I1016-L1046 HydrophobicContact CG2-CD1 3.99Å; I1016-V1064 HydrophobicContact CD1-CG1 4.47Å; I1016-V1064 HydrophobicContact CD1-CG2 3.4Å; I1016-L1078 HydrophobicContact CD1-CD1 3.92Å; I1016-L1078 HydrophobicContact CD1-CD2 4.46Å |
| 1017 | L | 90.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 148 | 179.1 | -57 | 179.7 | 0 | 0 | 0 | 111.1 | F948 L967 V999 I1004 D1006 L1015 V1024 T1025 L1027 | F948-L1017 HydrophobicContact CE1-CD2 4.23Å; F948-L1017 HydrophobicContact CE2-CD2 4.01Å; F948-L1017 HydrophobicContact CZ-CD2 3.44Å; F948-L1017 VanDerWaalsContact CZ-CD2 3.44Å; L967-L1017 HydrophobicContact CD1-CD1 4.48Å; L967-L1017 HydrophobicContact CD2-CD1 4.11Å; V999-L1017 HydrophobicContact CG1-CD1 3.95Å; I1004-L1017 HydrophobicContact CD1-CD1 4.23Å; I1004-L1017 HydrophobicContact CG2-CB 4.14Å; I1004-L1017 HydrophobicContact CG2-CD2 4.15Å; D1006-L1017 WeakPolarHBondContact O-CA 3.29Å; L1015-L1017 HydrophobicContact CD1-CD2 3.91Å; L1015-L1017 HydrophobicContact CD2-CD2 3.98Å; L1015-L1017 HydrophobicContact CD2-CG 4.46Å; L1015-L1017 HydrophobicContact CG-CD2 3.74Å; L1015-L1017 HydrophobicContact CG-CG 4.16Å; L1017-V1024 CarbonylContact O-C 3.56Å; L1017-V1024 VanDerWaalsContact O-CA 3.23Å; L1017-V1024 WeakPolarHBondContact O-CA 3.3Å; L1017-T1025 PolarHBondContact N-O 3.48Å; L1017-T1025 PolarHBondContact O-N 3.02Å; L1017-L1027 HydrophobicContact CD1-CD1 3.57Å; L1017-L1027 HydrophobicContact CD1-CG 4.4Å; L1017-L1027 HydrophobicContact CG-CD1 4.2Å |
| 1018 | S | 89.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 150.9 | 169.3 | 45.7 | 0 | 0 | 0 | 0 | 110.4 | I1004 T1005 D1006 G1044 L1046 | I1004-S1018 CarbonylContact C-O 3.44Å; I1004-S1018 WeakPolarHBondContact CA-O 3.39Å; I1004-S1018 VanDerWaalsContact CG2-O 3.25Å; I1004-S1018 WeakPolarHBondContact CG2-O 3Å; T1005-S1018 PolarHBondContact N-O 3.47Å; T1005-S1018 VanDerWaalsContact OG1-CB 3.29Å; T1005-S1018 WeakPolarHBondContact OG1-CB 3.44Å; T1005-S1018 PolarHBondContact OG1-O 2.86Å; T1005-S1018 VanDerWaalsContact OG1-O 3.08Å; T1005-S1018 PolarHBondContact OG1-OG 3.42Å; D1006-S1018 PolarHBondContact N-OG 3.43Å; D1006-S1018 PolarHBondContact O-N 3.5Å; D1006-S1018 PolarHBondContact O-OG 2.79Å; S1018-G1044 PolarHBondContact OG-O 2.84Å; S1018-L1046 WeakPolarHBondContact OG-CD1 3.17Å |
| 1019 | S | 90.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.2 | 177.2 | 178.4 | 0 | 0 | 0 | 0 | 113.7 | H1000 K1002 P1003 T1005 D1021 H1022 G1023 P1043 | H1000-S1019 WeakPolarHBondContact CB-OG 3.29Å; H1000-S1019 WeakPolarHBondContact ND1-CB 3.49Å; K1002-S1019 PolarHBondContact O-OG 2.9Å; P1003-S1019 WeakPolarHBondContact O-CA 3.42Å; P1003-S1019 WeakPolarHBondContact O-CB 2.93Å; P1003-S1019 PolarHBondContact O-OG 3.16Å; T1005-S1019 PolarHBondContact OG1-N 3.2Å; S1019-D1021 VanDerWaalsContact CB-OD1 3.28Å; S1019-D1021 WeakPolarHBondContact CB-OD1 3.14Å; S1019-D1021 PolarHBondContact O-N 3.14Å; S1019-D1021 VanDerWaalsContact O-N 3.1Å; S1019-D1021 PolarHBondContact OG-N 2.71Å; S1019-D1021 PolarHBondContact OG-OD1 3.34Å; S1019-H1022 PolarHBondContact O-N 3.49Å; S1019-H1022 VanDerWaalsContact O-N 3.16Å; S1019-G1023 PolarHBondContact N-O 3.36Å; S1019-P1043 VanDerWaalsContact O-CD 3.32Å; S1019-P1043 WeakPolarHBondContact O-CD 3.29Å; S1019-P1043 WeakPolarHBondContact O-CG 3.41Å |
| 1020 | E | 87.8 | Confident | 86.1 | Confident | 86 Ų | 86 | 26.4 Ų | 26.4 | 40% | 0.402 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -8.6 | 170.9 | -60.3 | -169.9 | 162.6 | 0 | 0 | 114.3 | K1002 P1003 T1005 H1022 I1042 | K1002-E1020 HydrophobicContact CB-CB 3.96Å; K1002-E1020 HydrophobicContact CD-CB 3.96Å; K1002-E1020 WeakPolarHBondContact CD-O 3.47Å; K1002-E1020 PolarHBondContact NZ-O 3.48Å; K1002-E1020 VanDerWaalsContact NZ-O 3.07Å; P1003-E1020 HydrophobicContact CB-CG 4.41Å; P1003-E1020 PolarHBondContact O-N 3.49Å; P1003-E1020 VanDerWaalsContact O-N 3.17Å; T1005-E1020 HydrophobicContact CG2-CG 3.57Å; E1020-H1022 PolarHBondContact O-N 2.82Å; E1020-I1042 HydrophobicContact CB-CG2 4.43Å; E1020-I1042 HydrophobicContact CG-CG2 4.39Å |
| 1021 | D | 88.9 | Confident | 85.6 | Confident | 41 Ų | 41 | 26.6 Ų | 26.6 | 22% | 0.219 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 11 | 172.4 | 69.3 | 9.9 | 0 | 0 | 0 | 113.9 | H1000 S1001 K1002 S1019 G1023 | H1000-D1021 WeakPolarHBondContact CA-OD2 3.3Å; H1000-D1021 WeakPolarHBondContact CB-OD2 3.32Å; H1000-D1021 IonicContact CE1-OD1 3.62Å; H1000-D1021 IonicContact CG-OD1 2.96Å; H1000-D1021 IonicContact CG-OD2 3.58Å; H1000-D1021 VanDerWaalsContact ND1-CG 3.32Å; H1000-D1021 IonicContact ND1-OD1 2.83Å; H1000-D1021 PolarHBondContact ND1-OD1 3.25Å; H1000-D1021 IonicContact ND1-OD2 2.73Å; H1000-D1021 PolarHBondContact ND1-OD2 3.15Å; H1000-D1021 VanDerWaalsContact ND1-OD2 3.09Å; S1001-D1021 PolarHBondContact N-OD2 2.83Å; S1001-D1021 VanDerWaalsContact OG-CB 3.22Å; S1001-D1021 WeakPolarHBondContact OG-CB 3.28Å; S1001-D1021 PolarHBondContact OG-OD2 3.46Å; S1001-D1021 VanDerWaalsContact OG-OD2 3.12Å; K1002-D1021 HydrophobicContact CB-CB 4.03Å; K1002-D1021 HydrophobicContact CD-CB 4.15Å; K1002-D1021 HydrophobicContact CG-CB 4.04Å; S1019-D1021 VanDerWaalsContact CB-OD1 3.28Å; S1019-D1021 WeakPolarHBondContact CB-OD1 3.14Å; S1019-D1021 PolarHBondContact O-N 3.14Å; S1019-D1021 VanDerWaalsContact O-N 3.1Å; S1019-D1021 PolarHBondContact OG-N 2.71Å; S1019-D1021 PolarHBondContact OG-OD1 3.34Å; D1021-G1023 PolarHBondContact O-N 3.1Å; D1021-G1023 PolarHBondContact OD1-N 3.15Å |
| 1022 | H | 88.5 | Confident | 85.9 | Confident | 64 Ų | 64 | 28.1 Ų | 28.1 | 30% | 0.296 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 72.2 | 2.7 | -176 | -55.9 | -96.1 | 0 | 0 | 0 | 114.2 | S1019 E1020 V1038 C1039 E1041 | S1019-H1022 PolarHBondContact O-N 3.49Å; S1019-H1022 VanDerWaalsContact O-N 3.16Å; E1020-H1022 PolarHBondContact O-N 2.82Å; H1022-V1038 HydrophobicContact CB-CG1 4.08Å; H1022-V1038 CarbonylContact O-C 3.58Å; H1022-V1038 WeakPolarHBondContact O-CA 3.34Å; H1022-C1039 WeakPolarHBondContact O-CB 3.48Å; H1022-C1039 PolarHBondContact O-N 3.48Å; H1022-E1041 VanDerWaalsContact ND1-C 3.34Å; H1022-E1041 PolarHBondContact ND1-O 2.98Å |
| 1023 | G | 85.2 | Confident | 86.3 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 140.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1019 D1021 C1037 | S1019-G1023 PolarHBondContact N-O 3.36Å; D1021-G1023 PolarHBondContact O-N 3.1Å; D1021-G1023 PolarHBondContact OD1-N 3.15Å; G1023-C1037 CarbonylContact C-O 3.42Å; G1023-C1037 WeakPolarHBondContact CA-O 3.42Å |
| 1024 | V | 88.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119.5 | 156.5 | 176.4 | 0 | 0 | 0 | 0 | 107.2 | I1016 L1017 S1036 C1037 C1039 P1043 L1076 | I1016-V1024 HydrophobicContact CG2-CG1 3.79Å; L1017-V1024 CarbonylContact O-C 3.56Å; L1017-V1024 VanDerWaalsContact O-CA 3.23Å; L1017-V1024 WeakPolarHBondContact O-CA 3.3Å; V1024-S1036 CarbonylContact O-C 3.11Å; V1024-S1036 WeakPolarHBondContact O-CA 3.37Å; V1024-C1037 PolarHBondContact N-O 3.42Å; V1024-C1037 PolarHBondContact O-N 2.79Å; V1024-C1039 VanDerWaalsContact CG2-SG 3.57Å; V1024-P1043 HydrophobicContact CG2-CB 3.91Å; V1024-P1043 HydrophobicContact CG2-CG 3.98Å; V1024-L1076 HydrophobicContact CG1-CD1 4.41Å; V1024-L1076 HydrophobicContact CG2-CD1 4.46Å |
| 1025 | T | 89.7 | Confident | 86.3 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.3 | -177.7 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | H1000 I1016 L1017 L1033 H1035 | H1000-T1025 PolarHBondContact NE2-OG1 2.9Å; I1016-T1025 CarbonylContact C-O 3.5Å; I1016-T1025 VanDerWaalsContact CA-O 3.29Å; I1016-T1025 WeakPolarHBondContact CA-O 3.48Å; L1017-T1025 PolarHBondContact N-O 3.48Å; L1017-T1025 PolarHBondContact O-N 3.02Å; T1025-L1033 HydrophobicContact CG2-CD1 3.77Å; T1025-H1035 CarbonylContact C-O 3.56Å; T1025-H1035 WeakPolarHBondContact CA-O 3.47Å |
| 1026 | V | 89.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.6 | 172.5 | -177.2 | 0 | 0 | 0 | 0 | 106.8 | Q1014 I1016 L1034 H1035 L1078 L1081 | Q1014-V1026 HydrophobicContact CB-CG1 4.14Å; I1016-V1026 HydrophobicContact CD1-CG2 4.44Å; I1016-V1026 HydrophobicContact CG1-CG1 4.27Å; I1016-V1026 HydrophobicContact CG1-CG2 4.14Å; I1016-V1026 HydrophobicContact CG2-CG2 4.23Å; V1026-L1034 HydrophobicContact CB-CB 4.41Å; V1026-L1034 HydrophobicContact CG1-CB 4.26Å; V1026-L1034 HydrophobicContact CG1-CD1 4.18Å; V1026-L1034 WeakPolarHBondContact O-CA 3.29Å; V1026-L1034 WeakPolarHBondContact O-CB 3.37Å; V1026-L1034 PolarHBondContact O-N 2.88Å; V1026-H1035 HydrophobicContact CB-CB 4.18Å; V1026-H1035 HydrophobicContact CG2-CB 4.21Å; V1026-H1035 PolarHBondContact N-O 3.02Å; V1026-H1035 PolarHBondContact O-N 3.46Å; V1026-L1078 HydrophobicContact CG2-CD2 3.98Å; V1026-L1081 HydrophobicContact CG2-CD1 4.25Å; V1026-L1081 HydrophobicContact CG2-CD2 4.27Å |
| 1027 | L | 89.9 | Confident | 86 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 150.9 | 179.1 | -56.2 | 177.7 | 0 | 0 | 0 | 110.5 | L967 V999 Q1014 L1015 L1017 D1032 L1033 | L967-L1027 HydrophobicContact CD2-CD1 3.29Å; V999-L1027 HydrophobicContact CG1-CD1 4.32Å; V999-L1027 HydrophobicContact CG1-CD2 4.29Å; Q1014-L1027 CarbonylContact C-O 3.56Å; Q1014-L1027 WeakPolarHBondContact CA-O 3.05Å; Q1014-L1027 WeakPolarHBondContact CB-O 3.42Å; L1015-L1027 HydrophobicContact CB-CB 4.23Å; L1015-L1027 HydrophobicContact CD2-CD1 4.26Å; L1015-L1027 PolarHBondContact N-O 3.46Å; L1015-L1027 WeakPolarHBondContact O-CA 3.38Å; L1015-L1027 WeakPolarHBondContact O-CB 3.24Å; L1015-L1027 PolarHBondContact O-N 3.27Å; L1017-L1027 HydrophobicContact CD1-CD1 3.57Å; L1017-L1027 HydrophobicContact CD1-CG 4.4Å; L1017-L1027 HydrophobicContact CG-CD1 4.2Å; L1027-D1032 CarbonylContact C-O 3.55Å; L1027-D1032 WeakPolarHBondContact CA-O 3.35Å; L1027-L1033 HydrophobicContact CD2-CB 4.15Å; L1027-L1033 HydrophobicContact CD2-CD1 3.93Å |
| 1028 | S | 84.6 | Confident | 85.8 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | trans | -68.5 | 164.4 | 168.5 | 76.6 | 0 | 0 | 0 | 0 | 110.7 | E1030 G1031 D1032 | S1028-E1030 PolarHBondContact O-N 2.82Å; S1028-E1030 VanDerWaalsContact O-N 3.11Å; S1028-E1030 PolarHBondContact OG-N 3.09Å; S1028-G1031 PolarHBondContact O-N 2.81Å; S1028-G1031 PolarHBondContact OG-N 2.84Å; S1028-D1032 PolarHBondContact N-O 2.92Å; S1028-D1032 VanDerWaalsContact OG-CB 3.3Å; S1028-D1032 WeakPolarHBondContact OG-CB 3.38Å; S1028-D1032 PolarHBondContact OG-N 2.86Å; S1028-D1032 PolarHBondContact OG-OD2 2.89Å | ||
| 1029 | P | 80 | Confident | 85.4 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -24.9 | 172.2 | -20.5 | 28.8 | 0 | 0 | 0 | 113.6 | D1013 | D1013-P1029 HydrophobicContact CB-CB 4.05Å; D1013-P1029 HydrophobicContact CB-CG 3.8Å; D1013-P1029 WeakPolarHBondContact O-CA 3.34Å; D1013-P1029 WeakPolarHBondContact O-CG 3.09Å |
| 1030 | E | 74.5 | Confident | 85.1 | Confident | 88 Ų | 88 | 48.7 Ų | 48.7 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14.4 | 174.6 | -76.6 | 84.5 | -175.3 | 0 | 0 | 114.6 | K651 S1028 | K651-E1030 VanDerWaalsContact NZ-CG 3.28Å; K651-E1030 IonicContact NZ-OE1 2.76Å; K651-E1030 PolarHBondContact NZ-OE1 2.98Å; S1028-E1030 PolarHBondContact O-N 2.82Å; S1028-E1030 VanDerWaalsContact O-N 3.11Å; S1028-E1030 PolarHBondContact OG-N 3.09Å |
| 1031 | G | 76 | Confident | 84.9 | Confident | 11 Ų | 11 | 47 Ų | 47 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 98.8 | 13.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1028 | S1028-G1031 PolarHBondContact O-N 2.81Å; S1028-G1031 PolarHBondContact OG-N 2.84Å |
| 1032 | D | 84.3 | Confident | 84.8 | Confident | 103 Ų | 103 | 48.5 Ų | 48.5 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | trans | -82.4 | 138.8 | 177.6 | -54.8 | -51 | 0 | 0 | 0 | 111.1 | L1027 S1028 L1034 | L1027-D1032 CarbonylContact C-O 3.55Å; L1027-D1032 WeakPolarHBondContact CA-O 3.35Å; S1028-D1032 PolarHBondContact N-O 2.92Å; S1028-D1032 VanDerWaalsContact OG-CB 3.3Å; S1028-D1032 WeakPolarHBondContact OG-CB 3.38Å; S1028-D1032 PolarHBondContact OG-N 2.86Å; S1028-D1032 PolarHBondContact OG-OD2 2.89Å; D1032-L1034 PolarHBondContact O-N 2.74Å | ||
| 1033 | L | 86.5 | Confident | 84.7 | Confident | 108 Ų | 108 | 45.4 Ų | 45.4 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 115.3 | 178.2 | -177.5 | 69.9 | 0 | 0 | 0 | 111.7 | T1025 L1027 | T1025-L1033 HydrophobicContact CG2-CD1 3.77Å; L1027-L1033 HydrophobicContact CD2-CB 4.15Å; L1027-L1033 HydrophobicContact CD2-CD1 3.93Å |
| 1034 | L | 85.5 | Confident | 84.5 | Confident | 72 Ų | 72 | 46 Ų | 46 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -54.2 | 176.7 | -61.6 | 177.8 | 0 | 0 | 0 | 111.7 | Q1014 V1026 D1032 | Q1014-L1034 HydrophobicContact CB-CD1 4.37Å; Q1014-L1034 HydrophobicContact CG-CD1 3.84Å; V1026-L1034 HydrophobicContact CB-CB 4.41Å; V1026-L1034 HydrophobicContact CG1-CB 4.26Å; V1026-L1034 HydrophobicContact CG1-CD1 4.18Å; V1026-L1034 WeakPolarHBondContact O-CA 3.29Å; V1026-L1034 WeakPolarHBondContact O-CB 3.37Å; V1026-L1034 PolarHBondContact O-N 2.88Å; D1032-L1034 PolarHBondContact O-N 2.74Å |
| 1035 | H | 83.7 | Confident | 84.3 | Confident | 82 Ų | 82 | 49.1 Ų | 49.1 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.5 | -178.1 | -64.7 | -65.4 | 0 | 0 | 0 | 111.1 | T1025 V1026 P1079 L1081 | T1025-H1035 CarbonylContact C-O 3.56Å; T1025-H1035 WeakPolarHBondContact CA-O 3.47Å; V1026-H1035 HydrophobicContact CB-CB 4.18Å; V1026-H1035 HydrophobicContact CG2-CB 4.21Å; V1026-H1035 PolarHBondContact N-O 3.02Å; V1026-H1035 PolarHBondContact O-N 3.46Å; H1035-P1079 PolarHBondContact CD2-O 2.91Å; H1035-L1081 HydrophobicContact CB-CD1 3.68Å; H1035-L1081 HydrophobicContact CB-CG 4.37Å |
| 1036 | S | 85.7 | Confident | 84.2 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 135.5 | 175.3 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | V1024 | V1024-S1036 CarbonylContact O-C 3.11Å; V1024-S1036 WeakPolarHBondContact O-CA 3.37Å |
| 1037 | C | 85.6 | Confident | 84 | Confident | 25 Ų | 25 | 51 Ų | 51 | 17% | 0.169 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142.5 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | G1023 V1024 L1081 | G1023-C1037 CarbonylContact C-O 3.42Å; G1023-C1037 WeakPolarHBondContact CA-O 3.42Å; V1024-C1037 PolarHBondContact N-O 3.42Å; V1024-C1037 PolarHBondContact O-N 2.79Å; C1037-L1081 HydrophobicContact CB-CB 3.82Å; C1037-L1081 HydrophobicContact CB-CD1 3.66Å; C1037-L1081 HydrophobicContact CB-CG 4.32Å |
| 1038 | V | 86.2 | Confident | 83.8 | Confident | 115 Ų | 115 | 52.5 Ų | 52.5 | 70% | 0.697 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 111.8 | 173.2 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | H1022 | H1022-V1038 HydrophobicContact CB-CG1 4.08Å; H1022-V1038 CarbonylContact O-C 3.58Å; H1022-V1038 WeakPolarHBondContact O-CA 3.34Å |
| 1039 | C | 83 | Confident | 83.4 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | trans | -72.2 | 147.9 | 175.7 | -73.4 | 0 | 0 | 0 | 0 | 111.2 | H1022 V1024 E1041 P1043 L1068 | H1022-C1039 WeakPolarHBondContact O-CB 3.48Å; H1022-C1039 PolarHBondContact O-N 3.48Å; V1024-C1039 VanDerWaalsContact CG2-SG 3.57Å; C1039-E1041 VanDerWaalsContact CB-O 3.27Å; C1039-E1041 WeakPolarHBondContact CB-O 3.39Å; C1039-E1041 PolarHBondContact O-N 3.46Å; C1039-P1043 HydrophobicContact CB-CG 4.47Å; C1039-L1068 HydrophobicContact CB-CD2 3.72Å | ||
| 1040 | P | 83 | Confident | 82.9 | Confident | 84 Ų | 84 | 53.9 Ų | 53.9 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -66.1 | -21.6 | 178.8 | 26.7 | -34.4 | 0 | 0 | 0 | 113.2 | L1068 Y1074 | P1040-L1068 HydrophobicContact CG-CD1 3.91Å; P1040-Y1074 HydrophobicContact CG-CE2 4.34Å |
| 1041 | E | 84.5 | Confident | 82.2 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -137.7 | 170 | -176.1 | -81.1 | -176.9 | -152.5 | 0 | 0 | 108.4 | H1022 C1039 P1043 L1068 S1069 K1072 | H1022-E1041 VanDerWaalsContact ND1-C 3.34Å; H1022-E1041 PolarHBondContact ND1-O 2.98Å; C1039-E1041 VanDerWaalsContact CB-O 3.27Å; C1039-E1041 WeakPolarHBondContact CB-O 3.39Å; C1039-E1041 PolarHBondContact O-N 3.46Å; E1041-P1043 VanDerWaalsContact O-CD 3.25Å; E1041-P1043 WeakPolarHBondContact O-CD 3.42Å; E1041-L1068 HydrophobicContact CB-CB 3.96Å; E1041-L1068 HydrophobicContact CB-CD1 4.38Å; E1041-S1069 WeakPolarHBondContact CB-OG 3.41Å; E1041-S1069 WeakPolarHBondContact OE2-CB 3.07Å; E1041-S1069 PolarHBondContact OE2-OG 2.95Å; E1041-K1072 IonicContact OE1-NZ 2.9Å; E1041-K1072 PolarHBondContact OE1-NZ 2.8Å; E1041-K1072 IonicContact OE2-NZ 3.87Å |
| 1042 | I | 86.3 | Confident | 81 | Confident | 71 Ų | 71 | 56.9 Ų | 56.9 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | trans | -70.6 | 118.2 | -176.1 | -64.2 | 167.8 | 0 | 0 | 0 | 109.5 | E1020 S1069 | E1020-I1042 HydrophobicContact CB-CG2 4.43Å; E1020-I1042 HydrophobicContact CG-CG2 4.39Å; I1042-S1069 PolarHBondContact O-N 3.42Å | ||
| 1043 | P | 85.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 132.6 | 174.9 | 31.8 | -34.6 | 0 | 0 | 0 | 111.1 | T1005 S1019 V1024 C1039 E1041 L1068 | T1005-P1043 PolarHBondContact OG1-O 3.03Å; S1019-P1043 VanDerWaalsContact O-CD 3.32Å; S1019-P1043 WeakPolarHBondContact O-CD 3.29Å; S1019-P1043 WeakPolarHBondContact O-CG 3.41Å; V1024-P1043 HydrophobicContact CG2-CB 3.91Å; V1024-P1043 HydrophobicContact CG2-CG 3.98Å; C1039-P1043 HydrophobicContact CB-CG 4.47Å; E1041-P1043 VanDerWaalsContact O-CD 3.25Å; E1041-P1043 WeakPolarHBondContact O-CD 3.42Å; P1043-L1068 HydrophobicContact CB-CD2 4.12Å |
| 1044 | G | 82.2 | Confident | 77.2 | Confident | 17 Ų | 17 | 56 Ų | 56 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -120.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1018 V1067 | S1018-G1044 PolarHBondContact OG-O 2.84Å; G1044-V1067 PolarHBondContact N-O 3.21Å |
| 1045 | K | 83.4 | Confident | 74.9 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 142.9 | -176.2 | -68.8 | -163.8 | 166.8 | -170.1 | 0 | 113.8 | D1006 V1067 V1097 E1098 F1099 | D1006-K1045 WeakPolarHBondContact OD2-CA 3.21Å; K1045-V1067 HydrophobicContact CB-CG2 4.38Å; K1045-V1067 PolarHBondContact O-N 2.8Å; K1045-V1097 VanDerWaalsContact CD-O 3.31Å; K1045-V1097 WeakPolarHBondContact CD-O 3.4Å; K1045-V1097 WeakPolarHBondContact CE-O 3.16Å; K1045-V1097 PolarHBondContact NZ-O 3.37Å; K1045-E1098 IonicContact NZ-OE2 2.83Å; K1045-E1098 PolarHBondContact NZ-OE2 2.95Å; K1045-F1099 HydrophobicContact CB-CD1 4.44Å; K1045-F1099 HydrophobicContact CB-CE1 3.85Å |
| 1046 | L | 88.1 | Confident | 72.5 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.2 | -177.8 | -65.9 | 176.6 | 0 | 0 | 0 | 111.6 | D1006 V1008 I1016 S1018 V1064 L1065 A1066 | D1006-L1046 HydrophobicContact CB-CG 4.49Å; D1006-L1046 PolarHBondContact OD2-N 3.11Å; V1008-L1046 HydrophobicContact CG1-CB 4Å; I1016-L1046 HydrophobicContact CG2-CD1 3.99Å; S1018-L1046 WeakPolarHBondContact OG-CD1 3.17Å; L1046-V1064 HydrophobicContact CD2-CG1 4.14Å; L1046-L1065 CarbonylContact C-O 3.52Å; L1046-L1065 WeakPolarHBondContact CA-O 3.31Å; L1046-A1066 HydrophobicContact CD2-CB 3.54Å |
| 1047 | K | 86.2 | Confident | 69.9 | Low | 39 Ų | 39 | 65 Ų | 65 | 17% | 0.17 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 138.1 | 164.5 | -72.4 | -161.1 | 167.7 | -173 | 0 | 112.1 | V1064 L1065 E1098 F1099 H1100 | K1047-V1064 CarbonylContact O-C 3.5Å; K1047-V1064 WeakPolarHBondContact O-CA 3.38Å; K1047-L1065 PolarHBondContact N-O 3.08Å; K1047-L1065 PolarHBondContact O-N 3.29Å; K1047-E1098 IonicContact NZ-OE1 3.94Å; K1047-F1099 HydrophobicContact CB-CE2 3.71Å; K1047-F1099 HydrophobicContact CB-CZ 3.8Å; K1047-F1099 HydrophobicContact CD-CD2 4.09Å; K1047-F1099 HydrophobicContact CD-CE2 3.82Å; K1047-F1099 HydrophobicContact CD-CZ 4.18Å; K1047-F1099 WeakPolarHBondContact CD-O 3.37Å; K1047-F1099 WeakPolarHBondContact CE-O 3.5Å; K1047-F1099 HydrophobicContact CG-CD2 4.43Å; K1047-F1099 HydrophobicContact CG-CE1 4.33Å; K1047-F1099 HydrophobicContact CG-CE2 3.7Å; K1047-F1099 HydrophobicContact CG-CZ 3.64Å; K1047-F1099 PolarHBondContact NZ-O 3.38Å; K1047-H1100 PolarHBondContact NZ-CE1 2.59Å; K1047-H1100 VanDerWaalsContact NZ-CG 3.28Å; K1047-H1100 PolarHBondContact NZ-ND1 2.74Å |
| 1048 | Y | 85.3 | Confident | 67.6 | Low | 34 Ų | 34 | 67.4 Ų | 67.4 | 13% | 0.133 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.6 | 175 | 170.8 | -103.6 | 0 | 0 | 0 | 110.3 | T1010 N1011 N1050 E1061 V1064 L1078 | T1010-Y1048 HydrophobicContact CG2-CD1 4.38Å; T1010-Y1048 HydrophobicContact CG2-CD2 3.83Å; T1010-Y1048 HydrophobicContact CG2-CE1 4.46Å; T1010-Y1048 HydrophobicContact CG2-CE2 3.92Å; T1010-Y1048 HydrophobicContact CG2-CG 4.07Å; N1011-Y1048 HydrophobicContact CB-CE1 4.34Å; Y1048-N1050 HydrophobicContact CE1-CB 4.35Å; Y1048-E1061 PolarHBondContact OH-O 2.55Å; Y1048-V1064 HydrophobicContact CD2-CG2 4.34Å; Y1048-L1078 HydrophobicContact CD2-CD1 3.66Å; Y1048-L1078 HydrophobicContact CE2-CD1 3.55Å |
| 1049 | V | 76.7 | Confident | 65.3 | Low | 25 Ų | 25 | 69.3 Ų | 69.3 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.2 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | G1062 T1063 L1065 Y1101 | V1049-G1062 WeakPolarHBondContact O-CA 3.41Å; V1049-T1063 PolarHBondContact N-O 3.46Å; V1049-T1063 PolarHBondContact O-N 3.29Å; V1049-L1065 HydrophobicContact CG2-CD1 4.34Å; V1049-Y1101 HydrophobicContact CG1-CD1 4.02Å; V1049-Y1101 HydrophobicContact CG1-CE1 3.82Å; V1049-Y1101 HydrophobicContact CG1-CE2 4.4Å; V1049-Y1101 HydrophobicContact CG1-CG 4.42Å; V1049-Y1101 HydrophobicContact CG2-CD1 4.12Å; V1049-Y1101 HydrophobicContact CG2-CD2 3.77Å; V1049-Y1101 HydrophobicContact CG2-CE2 4.22Å; V1049-Y1101 HydrophobicContact CG2-CG 3.71Å |
| 1050 | N | 68.7 | Low | 63.7 | Low | 56 Ų | 56 | 70.3 Ų | 70.3 | 30% | 0.299 | 42% | 0.415 | S | S | . | . | trans | -84.9 | 131.5 | 176.3 | -171.4 | 4.7 | 0 | 0 | 0 | 110.9 | N1011 Y1048 S1052 | N1011-N1050 WeakPolarHBondContact ND2-CB 3.49Å; N1011-N1050 PolarHBondContact ND2-ND2 3.3Å; Y1048-N1050 HydrophobicContact CE1-CB 4.35Å; N1050-S1052 PolarHBondContact ND2-OG 3.25Å; N1050-S1052 PolarHBondContact O-N 3.38Å | ||
| 1051 | E | 58.9 | Low | 62.6 | Low | 65 Ų | 65 | 71.1 Ų | 71.1 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -73.8 | -4.1 | -176.4 | -71.4 | -170.3 | 163.8 | 0 | 0 | 114.5 | L1053 V1054 | E1051-L1053 PolarHBondContact O-N 3.14Å; E1051-V1054 PolarHBondContact O-N 2.8Å |
| 1052 | S | 51.8 | Low | 61.9 | Low | 96 Ų | 96 | 68.6 Ų | 68.6 | 67% | 0.671 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -61.3 | -5.2 | 179.7 | 56.9 | 0 | 0 | 0 | 0 | 115.5 | N1050 | N1050-S1052 PolarHBondContact ND2-OG 3.25Å; N1050-S1052 PolarHBondContact O-N 3.38Å |
| 1053 | L | 48 | Very low | 61.4 | Low | 121 Ų | 121 | 66.3 Ų | 66.3 | 63% | 0.634 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -92.1 | -6.6 | 172.9 | -76.4 | 155.8 | 0 | 0 | 0 | 113.6 | E1051 | E1051-L1053 PolarHBondContact O-N 3.14Š|
| 1054 | V | 43.5 | Very low | 61.1 | Low | 71 Ų | 71 | 66.3 Ų | 66.3 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -118.1 | 114.3 | -175.7 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | E1051 A1056 M1105 | E1051-V1054 PolarHBondContact O-N 2.8Å; V1054-A1056 VanDerWaalsContact C-N 3.26Å; V1054-A1056 PolarHBondContact O-N 3.15Å; V1054-M1105 HydrophobicContact CG2-CE 3.41Å; V1054-M1105 VanDerWaalsContact CG2-CE 3.41Å; V1054-M1105 HydrophobicContact CG2-SD 3.89Å |
| 1055 | Q | 36.3 | Very low | 61.1 | Low | 209 Ų | 209 | 65.7 Ų | 65.7 | 98% | 0.977 | 38% | 0.382 | S | S | * | . | trans | -71.1 | 69.8 | 178.3 | -69.8 | -179.5 | -14.1 | 0 | 0 | 112.6 | ||||
| 1056 | A | 34 | Very low | 61 | Low | 73 Ų | 73 | 62.5 Ų | 62.5 | 60% | 0.603 | 37% | 0.368 | S | S | * | . | trans | -135.3 | 133 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | V1054 A1058 | V1054-A1056 VanDerWaalsContact C-N 3.26Å; V1054-A1056 PolarHBondContact O-N 3.15Å; A1056-A1058 PolarHBondContact O-N 3.07Å | ||
| 1057 | P | 30.1 | Very low | 60.8 | Low | 136 Ų | 136 | 62.4 Ų | 62.4 | 88% | 0.883 | 37% | 0.367 | S | S | * | . | trans | -90 | 90.9 | -176.1 | 34.8 | -29.4 | 0 | 0 | 0 | 109.9 | ||||
| 1058 | A | 38.8 | Very low | 60.6 | Low | 77 Ų | 77 | 60.6 Ų | 60.6 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -159 | 109.4 | 164 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1056 G1060 | A1056-A1058 PolarHBondContact O-N 3.07Å; A1058-G1060 PolarHBondContact O-N 3.08Å; A1058-G1060 VanDerWaalsContact O-N 3.07Å |
| 1059 | V | 37.6 | Very low | 60.4 | Low | 155 Ų | 155 | 61.4 Ų | 61.4 | 94% | 0.939 | 37% | 0.371 | S | S | * | . | trans | -10.1 | 89.3 | 161.3 | -168 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1060 | G | 49.3 | Very low | 60.6 | Low | 23 Ų | 23 | 65.7 Ų | 65.7 | 24% | 0.237 | 39% | 0.387 | C | S | . | . | trans | -149.7 | 131.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1058 G1062 | A1058-G1060 PolarHBondContact O-N 3.08Å; A1058-G1060 VanDerWaalsContact O-N 3.07Å; G1060-G1062 VanDerWaalsContact C-N 3.27Å; G1060-G1062 PolarHBondContact O-N 2.96Å | ||
| 1061 | E | 59.6 | Low | 61.3 | Low | 101 Ų | 101 | 67.2 Ų | 67.2 | 47% | 0.472 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -81.9 | -4.4 | -177.2 | -71.2 | -168.9 | 163.7 | 0 | 0 | 113 | Y1048 L1078 | Y1048-E1061 PolarHBondContact OH-O 2.55Å; E1061-L1078 PolarHBondContact N-O 2.88Å |
| 1062 | G | 69.2 | Low | 62.5 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.8 | 169.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1049 G1060 L1078 | V1049-G1062 WeakPolarHBondContact O-CA 3.41Å; G1060-G1062 VanDerWaalsContact C-N 3.27Å; G1060-G1062 PolarHBondContact O-N 2.96Å; G1062-L1078 WeakPolarHBondContact O-CB 3.21Å; G1062-L1078 PolarHBondContact O-N 2.85Å |
| 1063 | T | 75.7 | Confident | 64.1 | Low | 22 Ų | 22 | 61.3 Ų | 61.3 | 14% | 0.135 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.4 | 177.7 | -50.4 | 0 | 0 | 0 | 0 | 110.7 | V1049 M1075 | V1049-T1063 PolarHBondContact N-O 3.46Å; V1049-T1063 PolarHBondContact O-N 3.29Å; T1063-M1075 HydrophobicContact CG2-CB 4.38Å; T1063-M1075 HydrophobicContact CG2-CE 3.9Å |
| 1064 | V | 80.4 | Confident | 65.8 | Low | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.4 | 173.5 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | I1016 L1046 K1047 Y1048 L1076 L1078 | I1016-V1064 HydrophobicContact CD1-CG1 4.47Å; I1016-V1064 HydrophobicContact CD1-CG2 3.4Å; L1046-V1064 HydrophobicContact CD2-CG1 4.14Å; K1047-V1064 CarbonylContact O-C 3.5Å; K1047-V1064 WeakPolarHBondContact O-CA 3.38Å; Y1048-V1064 HydrophobicContact CD2-CG2 4.34Å; V1064-L1076 HydrophobicContact CB-CB 4.31Å; V1064-L1076 PolarHBondContact N-O 3.21Å; V1064-L1076 PolarHBondContact O-N 3.42Å; V1064-L1078 HydrophobicContact CG2-CD1 3.53Å; V1064-L1078 HydrophobicContact CG2-CD2 4.48Å; V1064-L1078 HydrophobicContact CG2-CG 3.9Å |
| 1065 | L | 81.5 | Confident | 67.7 | Low | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115 | 171.6 | -77.1 | 161 | 0 | 0 | 0 | 109.2 | L1046 K1047 V1049 M1075 F1099 Y1101 I1107 | L1046-L1065 CarbonylContact C-O 3.52Å; L1046-L1065 WeakPolarHBondContact CA-O 3.31Å; K1047-L1065 PolarHBondContact N-O 3.08Å; K1047-L1065 PolarHBondContact O-N 3.29Å; V1049-L1065 HydrophobicContact CG2-CD1 4.34Å; L1065-M1075 HydrophobicContact CD2-CG 3.38Å; L1065-M1075 HydrophobicContact CD2-SD 4.31Å; L1065-M1075 HydrophobicContact CG-CG 4.4Å; L1065-F1099 HydrophobicContact CB-CE2 3.92Å; L1065-F1099 HydrophobicContact CB-CZ 4.16Å; L1065-F1099 HydrophobicContact CD1-CE2 4.38Å; L1065-Y1101 HydrophobicContact CD1-CD2 3.9Å; L1065-Y1101 HydrophobicContact CD1-CE2 4.42Å; L1065-I1107 HydrophobicContact CD1-CD1 3.88Å |
| 1066 | A | 81.7 | Confident | 69.9 | Low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1046 F1073 Y1074 | L1046-A1066 HydrophobicContact CD2-CB 3.54Å; A1066-F1073 CarbonylContact O-C 3.53Å; A1066-Y1074 PolarHBondContact N-O 3.46Å; A1066-Y1074 WeakPolarHBondContact O-CB 3.31Å; A1066-Y1074 PolarHBondContact O-N 3.45Å |
| 1067 | V | 83.6 | Confident | 72 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 111.7 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | G1044 K1045 K1072 F1073 I1096 F1099 | G1044-V1067 PolarHBondContact N-O 3.21Å; K1045-V1067 HydrophobicContact CB-CG2 4.38Å; K1045-V1067 PolarHBondContact O-N 2.8Å; V1067-K1072 CarbonylContact C-O 3.57Å; V1067-K1072 VanDerWaalsContact CA-O 3.28Å; V1067-K1072 WeakPolarHBondContact CA-O 3.2Å; V1067-F1073 HydrophobicContact CG2-CD1 3.83Å; V1067-F1073 HydrophobicContact CG2-CE1 3.61Å; V1067-I1096 HydrophobicContact CG1-CB 4.17Å; V1067-I1096 HydrophobicContact CG1-CD1 3.75Å; V1067-I1096 HydrophobicContact CG2-CD1 4.31Å; V1067-I1096 HydrophobicContact CG2-CG2 4.26Å; V1067-F1099 HydrophobicContact CG2-CD1 3.89Å; V1067-F1099 HydrophobicContact CG2-CE1 3.56Å; V1067-F1099 HydrophobicContact CG2-CZ 4.33Å |
| 1068 | L | 82.7 | Confident | 74 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 134.3 | 175.6 | -61.5 | -179.2 | 0 | 0 | 0 | 111.8 | C1039 P1040 E1041 P1043 K1070 K1071 K1072 Y1074 L1086 | C1039-L1068 HydrophobicContact CB-CD2 3.72Å; P1040-L1068 HydrophobicContact CG-CD1 3.91Å; E1041-L1068 HydrophobicContact CB-CB 3.96Å; E1041-L1068 HydrophobicContact CB-CD1 4.38Å; P1043-L1068 HydrophobicContact CB-CD2 4.12Å; L1068-K1070 PolarHBondContact O-N 3.42Å; L1068-K1071 PolarHBondContact O-N 2.82Å; L1068-K1072 HydrophobicContact CB-CB 4.26Å; L1068-K1072 PolarHBondContact N-O 3.19Å; L1068-K1072 PolarHBondContact O-N 3.26Å; L1068-Y1074 HydrophobicContact CD1-CD1 3.94Å; L1068-Y1074 HydrophobicContact CD1-CD2 3.52Å; L1068-Y1074 HydrophobicContact CD1-CE1 4.45Å; L1068-Y1074 HydrophobicContact CD1-CE2 4.08Å; L1068-Y1074 HydrophobicContact CD1-CG 3.42Å; L1068-Y1074 VanDerWaalsContact CD1-CG 3.42Å; L1068-Y1074 HydrophobicContact CD2-CD1 4.42Å; L1068-Y1074 HydrophobicContact CG-CD1 4.35Å; L1068-Y1074 HydrophobicContact CG-CD2 4.5Å; L1068-Y1074 HydrophobicContact CG-CG 3.96Å; L1068-L1086 HydrophobicContact CD1-CD1 4.28Å |
| 1069 | S | 80.8 | Confident | 75.3 | Confident | 52 Ų | 52 | 36.8 Ų | 36.8 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 31.4 | -179.1 | -56.1 | 0 | 0 | 0 | 0 | 113.9 | E1041 I1042 K1071 | E1041-S1069 WeakPolarHBondContact CB-OG 3.41Å; E1041-S1069 WeakPolarHBondContact OE2-CB 3.07Å; E1041-S1069 PolarHBondContact OE2-OG 2.95Å; I1042-S1069 PolarHBondContact O-N 3.42Å; S1069-K1071 PolarHBondContact O-N 3.39Å |
| 1070 | K | 80.1 | Confident | 76.6 | Confident | 115 Ų | 115 | 32.5 Ų | 32.5 | 50% | 0.5 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 8.8 | -176.6 | -52.4 | 178.1 | 179.1 | -176.8 | 0 | 116 | L1068 D1095 I1096 | L1068-K1070 PolarHBondContact O-N 3.42Å; K1070-D1095 HydrophobicContact CB-CB 3.77Å; K1070-D1095 HydrophobicContact CD-CB 3.88Å; K1070-D1095 WeakPolarHBondContact CD-OD2 3.22Å; K1070-D1095 HydrophobicContact CG-CB 4.48Å; K1070-D1095 IonicContact NZ-OD2 3.73Å; K1070-I1096 WeakPolarHBondContact O-CG1 3.36Å; K1070-I1096 PolarHBondContact O-N 3.35Å |
| 1071 | K | 83.4 | Confident | 77.4 | Confident | 87 Ų | 87 | 32 Ų | 32 | 38% | 0.378 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | -10.7 | -169.9 | -68.4 | -178.3 | -179.2 | -178.3 | 0 | 115.1 | L1068 S1069 F1089 | L1068-K1071 PolarHBondContact O-N 2.82Å; S1069-K1071 PolarHBondContact O-N 3.39Å; K1071-F1089 VanDerWaalsContact O-CD2 3.3Å; K1071-F1089 WeakPolarHBondContact O-CD2 3.47Å; K1071-F1089 PolarHBondContact O-N 3.04Å; K1071-F1089 VanDerWaalsContact O-N 3.12Å |
| 1072 | K | 85 | Confident | 77.8 | Confident | 35 Ų | 35 | 33.4 Ų | 33.4 | 15% | 0.152 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.2 | -176.5 | -56.9 | 175.5 | -176.4 | 176.3 | 0 | 110.1 | E1041 V1067 L1068 L1086 F1087 E1088 | E1041-K1072 IonicContact OE1-NZ 2.9Å; E1041-K1072 PolarHBondContact OE1-NZ 2.8Å; E1041-K1072 IonicContact OE2-NZ 3.87Å; V1067-K1072 CarbonylContact C-O 3.57Å; V1067-K1072 VanDerWaalsContact CA-O 3.28Å; V1067-K1072 WeakPolarHBondContact CA-O 3.2Å; L1068-K1072 HydrophobicContact CB-CB 4.26Å; L1068-K1072 PolarHBondContact N-O 3.19Å; L1068-K1072 PolarHBondContact O-N 3.26Å; K1072-L1086 HydrophobicContact CB-CD1 4.08Å; K1072-L1086 HydrophobicContact CD-CD1 4.28Å; K1072-F1087 CarbonylContact C-O 3.38Å; K1072-F1087 WeakPolarHBondContact CA-O 3.41Å; K1072-F1087 WeakPolarHBondContact CB-O 3.3Å; K1072-E1088 VanDerWaalsContact CE-OE1 3.22Å; K1072-E1088 WeakPolarHBondContact CE-OE1 3.45Å; K1072-E1088 HydrophobicContact CG-CB 4.21Å; K1072-E1088 HydrophobicContact CG-CG 4.12Å; K1072-E1088 IonicContact NZ-OE1 3.87Å |
| 1073 | F | 85 | Confident | 77.4 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 137.5 | 165 | -77.8 | -52.1 | 0 | 0 | 0 | 110 | A1066 V1067 L1086 F1087 F1089 I1096 F1099 I1107 C1109 I1119 | A1066-F1073 CarbonylContact O-C 3.53Å; V1067-F1073 HydrophobicContact CG2-CD1 3.83Å; V1067-F1073 HydrophobicContact CG2-CE1 3.61Å; F1073-L1086 CarbonylContact O-C 3.43Å; F1073-L1086 VanDerWaalsContact O-CA 3.28Å; F1073-L1086 WeakPolarHBondContact O-CA 3.49Å; F1073-F1087 HydrophobicContact CB-CB 4.24Å; F1073-F1087 HydrophobicContact CB-CD2 3.96Å; F1073-F1087 PolarHBondContact N-O 2.98Å; F1073-F1087 PolarHBondContact O-N 3.39Å; F1073-F1089 AromaticContact CD2-CE2 3.29Å; F1073-F1089 HydrophobicContact CD2-CE2 3.29Å; F1073-F1089 AromaticContact CD2-CZ 3.36Å; F1073-F1089 HydrophobicContact CD2-CZ 3.36Å; F1073-F1089 AromaticContact CE2-CE2 3.48Å; F1073-F1089 HydrophobicContact CE2-CE2 3.48Å; F1073-F1089 VanDerWaalsContact CE2-CE2 3.48Å; F1073-F1089 AromaticContact CE2-CZ 3.41Å; F1073-F1089 HydrophobicContact CE2-CZ 3.41Å; F1073-F1089 VanDerWaalsContact CE2-CZ 3.41Å; F1073-F1089 HydrophobicContact CG-CE2 4.05Å; F1073-F1089 HydrophobicContact CG-CZ 4.49Å; F1073-F1089 HydrophobicContact CZ-CE2 4.4Å; F1073-I1096 HydrophobicContact CZ-CD1 4.46Å; F1073-F1099 HydrophobicContact CE1-CB 4.24Å; F1073-F1099 AromaticContact CE1-CD1 3.82Å; F1073-F1099 HydrophobicContact CE1-CD1 3.82Å; F1073-F1099 AromaticContact CE1-CD2 3.71Å; F1073-F1099 HydrophobicContact CE1-CD2 3.71Å; F1073-F1099 HydrophobicContact CE1-CE1 4.05Å; F1073-F1099 AromaticContact CE1-CE2 3.93Å; F1073-F1099 HydrophobicContact CE1-CE2 3.93Å; F1073-F1099 AromaticContact CE1-CG 3.65Å; F1073-F1099 HydrophobicContact CE1-CG 3.65Å; F1073-F1099 HydrophobicContact CE1-CZ 4.1Å; F1073-F1099 HydrophobicContact CZ-CB 3.87Å; F1073-F1099 HydrophobicContact CZ-CD1 4.31Å; F1073-F1099 AromaticContact CZ-CD2 3.95Å; F1073-F1099 HydrophobicContact CZ-CD2 3.95Å; F1073-F1099 AromaticContact CZ-CG 3.79Å; F1073-F1099 HydrophobicContact CZ-CG 3.79Å; F1073-I1107 HydrophobicContact CE2-CG2 4.35Å; F1073-I1107 HydrophobicContact CZ-CG2 4.24Å; F1073-C1109 HydrophobicContact CZ-CB 4.45Å; F1073-I1119 HydrophobicContact CE2-CD1 4.14Å |
| 1074 | Y | 84.4 | Confident | 76.9 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 115.7 | -179.3 | -167.8 | -116.6 | 0 | 0 | 0 | 108.9 | P1040 A1066 L1068 L1076 R1083 L1086 | P1040-Y1074 HydrophobicContact CG-CE2 4.34Å; A1066-Y1074 PolarHBondContact N-O 3.46Å; A1066-Y1074 WeakPolarHBondContact O-CB 3.31Å; A1066-Y1074 PolarHBondContact O-N 3.45Å; L1068-Y1074 HydrophobicContact CD1-CD1 3.94Å; L1068-Y1074 HydrophobicContact CD1-CD2 3.52Å; L1068-Y1074 HydrophobicContact CD1-CE1 4.45Å; L1068-Y1074 HydrophobicContact CD1-CE2 4.08Å; L1068-Y1074 HydrophobicContact CD1-CG 3.42Å; L1068-Y1074 VanDerWaalsContact CD1-CG 3.42Å; L1068-Y1074 HydrophobicContact CD2-CD1 4.42Å; L1068-Y1074 HydrophobicContact CG-CD1 4.35Å; L1068-Y1074 HydrophobicContact CG-CD2 4.5Å; L1068-Y1074 HydrophobicContact CG-CG 3.96Å; Y1074-L1076 HydrophobicContact CD1-CD1 4.18Å; Y1074-L1076 HydrophobicContact CD1-CD2 4.06Å; Y1074-L1076 HydrophobicContact CD1-CG 3.93Å; Y1074-L1076 HydrophobicContact CE1-CD1 4.36Å; Y1074-L1076 HydrophobicContact CE1-CD2 3.62Å; Y1074-L1076 HydrophobicContact CE1-CG 4.03Å; Y1074-R1083 HydrophobicContact CD2-CG 4.41Å; Y1074-R1083 HydrophobicContact CE2-CB 4.39Å; Y1074-R1083 HydrophobicContact CE2-CG 3.58Å; Y1074-L1086 HydrophobicContact CD2-CD1 3.75Å; Y1074-L1086 HydrophobicContact CE2-CD1 4.49Å |
| 1075 | M | 82.3 | Confident | 76.4 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.1 | -178.2 | -70 | 174.1 | 66.2 | 0 | 0 | 110.5 | T1063 L1065 T1084 R1085 F1087 M1121 | T1063-M1075 HydrophobicContact CG2-CB 4.38Å; T1063-M1075 HydrophobicContact CG2-CE 3.9Å; L1065-M1075 HydrophobicContact CD2-CG 3.38Å; L1065-M1075 HydrophobicContact CD2-SD 4.31Å; L1065-M1075 HydrophobicContact CG-CG 4.4Å; M1075-T1084 WeakPolarHBondContact CB-OG1 3.18Å; M1075-T1084 PolarHBondContact O-N 3.19Å; M1075-T1084 VanDerWaalsContact O-N 3.07Å; M1075-T1084 PolarHBondContact O-OG1 3.04Å; M1075-R1085 PolarHBondContact N-O 2.93Å; M1075-R1085 HydrophobicContact SD-CB 3.93Å; M1075-F1087 HydrophobicContact SD-CE2 3.78Å; M1075-F1087 HydrophobicContact SD-CZ 4.43Å; M1075-M1121 HydrophobicContact CE-CE 3.99Å; M1075-M1121 HydrophobicContact SD-CE 3.71Å |
| 1076 | L | 82 | Confident | 76.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.2 | 178.8 | -68 | 167.4 | 0 | 0 | 0 | 109.3 | V1024 V1064 Y1074 L1081 | V1024-L1076 HydrophobicContact CG1-CD1 4.41Å; V1024-L1076 HydrophobicContact CG2-CD1 4.46Å; V1064-L1076 HydrophobicContact CB-CB 4.31Å; V1064-L1076 PolarHBondContact N-O 3.21Å; V1064-L1076 PolarHBondContact O-N 3.42Å; Y1074-L1076 HydrophobicContact CD1-CD1 4.18Å; Y1074-L1076 HydrophobicContact CD1-CD2 4.06Å; Y1074-L1076 HydrophobicContact CD1-CG 3.93Å; Y1074-L1076 HydrophobicContact CE1-CD1 4.36Å; Y1074-L1076 HydrophobicContact CE1-CD2 3.62Å; Y1074-L1076 HydrophobicContact CE1-CG 4.03Å; L1076-L1081 HydrophobicContact CB-CD2 4.27Å; L1076-L1081 HydrophobicContact CD1-CD2 4.41Å; L1076-L1081 VanDerWaalsContact CD2-O 3.29Å; L1076-L1081 WeakPolarHBondContact CD2-O 3.38Å |
| 1077 | E | 78.1 | Confident | 76 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.2 | -179.7 | -162.2 | 171.8 | 170.5 | 0 | 0 | 110.9 | S1080 L1081 E1082 T1084 | E1077-S1080 PolarHBondContact O-N 3.07Å; E1077-L1081 WeakPolarHBondContact O-CA 3.47Å; E1077-L1081 PolarHBondContact O-N 2.93Å; E1077-E1082 PolarHBondContact N-O 3.26Å; E1077-E1082 VanDerWaalsContact N-O 3.15Å; E1077-T1084 HydrophobicContact CB-CG2 4.24Å; E1077-T1084 WeakPolarHBondContact OE2-CG2 3.48Å |
| 1078 | L | 73.4 | Confident | 75.9 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 138.4 | 177.1 | -75.3 | 161.5 | 0 | 0 | 0 | 111 | T1010 I1016 V1026 Y1048 E1061 G1062 V1064 L1081 | T1010-L1078 HydrophobicContact CG2-CD1 4.29Å; I1016-L1078 HydrophobicContact CD1-CD1 3.92Å; I1016-L1078 HydrophobicContact CD1-CD2 4.46Å; V1026-L1078 HydrophobicContact CG2-CD2 3.98Å; Y1048-L1078 HydrophobicContact CD2-CD1 3.66Å; Y1048-L1078 HydrophobicContact CE2-CD1 3.55Å; E1061-L1078 PolarHBondContact N-O 2.88Å; G1062-L1078 WeakPolarHBondContact O-CB 3.21Å; G1062-L1078 PolarHBondContact O-N 2.85Å; V1064-L1078 HydrophobicContact CG2-CD1 3.53Å; V1064-L1078 HydrophobicContact CG2-CD2 4.48Å; V1064-L1078 HydrophobicContact CG2-CG 3.9Å; L1078-L1081 HydrophobicContact CD2-CD2 4.16Å |
| 1079 | P | 64.8 | Low | 75.8 | Confident | 62 Ų | 62 | 60.5 Ų | 60.5 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92.3 | -10.7 | 9.5 | 33.3 | -34.2 | 0 | 0 | 0 | 115.2 | H1035 L1081 | H1035-P1079 PolarHBondContact CD2-O 2.91Å; P1079-L1081 PolarHBondContact O-N 2.62Å |
| 1080 | S | 64.8 | Low | 75.7 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.1 | -168.3 | 60.1 | 0 | 0 | 0 | 0 | 115 | E1077 E1082 | E1077-S1080 PolarHBondContact O-N 3.07Å; S1080-E1082 PolarHBondContact O-N 3.41Å; S1080-E1082 VanDerWaalsContact O-N 3.15Å; S1080-E1082 PolarHBondContact OG-N 3.47Å |
| 1081 | L | 66.2 | Low | 75.4 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 30.5 | -169.4 | -64.2 | 171.9 | 0 | 0 | 0 | 112.3 | V1026 H1035 C1037 L1076 E1077 L1078 P1079 | V1026-L1081 HydrophobicContact CG2-CD1 4.25Å; V1026-L1081 HydrophobicContact CG2-CD2 4.27Å; H1035-L1081 HydrophobicContact CB-CD1 3.68Å; H1035-L1081 HydrophobicContact CB-CG 4.37Å; C1037-L1081 HydrophobicContact CB-CB 3.82Å; C1037-L1081 HydrophobicContact CB-CD1 3.66Å; C1037-L1081 HydrophobicContact CB-CG 4.32Å; L1076-L1081 HydrophobicContact CB-CD2 4.27Å; L1076-L1081 HydrophobicContact CD1-CD2 4.41Å; L1076-L1081 VanDerWaalsContact CD2-O 3.29Å; L1076-L1081 WeakPolarHBondContact CD2-O 3.38Å; E1077-L1081 WeakPolarHBondContact O-CA 3.47Å; E1077-L1081 PolarHBondContact O-N 2.93Å; L1078-L1081 HydrophobicContact CD2-CD2 4.16Å; P1079-L1081 PolarHBondContact O-N 2.62Å |
| 1082 | E | 68.7 | Low | 75.3 | Confident | 132 Ų | 132 | 59 Ų | 59 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 139.4 | 176.2 | -77.4 | -174.3 | -175 | 0 | 0 | 110.7 | E1077 S1080 T1084 | E1077-E1082 PolarHBondContact N-O 3.26Å; E1077-E1082 VanDerWaalsContact N-O 3.15Å; S1080-E1082 PolarHBondContact O-N 3.41Å; S1080-E1082 VanDerWaalsContact O-N 3.15Å; S1080-E1082 PolarHBondContact OG-N 3.47Å; E1082-T1084 PolarHBondContact O-N 3.03Å |
| 1083 | R | 61 | Low | 75.2 | Confident | 144 Ų | 144 | 59.4 Ų | 59.4 | 54% | 0.543 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 118.6 | 179.1 | 176.8 | -168.8 | 178.5 | 177.1 | -1.6 | 109.8 | Y1074 | Y1074-R1083 HydrophobicContact CD2-CG 4.41Å; Y1074-R1083 HydrophobicContact CE2-CB 4.39Å; Y1074-R1083 HydrophobicContact CE2-CG 3.58Å |
| 1084 | T | 65.6 | Low | 75.1 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -53.9 | 172.6 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | M1075 E1077 E1082 | M1075-T1084 WeakPolarHBondContact CB-OG1 3.18Å; M1075-T1084 PolarHBondContact O-N 3.19Å; M1075-T1084 VanDerWaalsContact O-N 3.07Å; M1075-T1084 PolarHBondContact O-OG1 3.04Å; E1077-T1084 HydrophobicContact CB-CG2 4.24Å; E1077-T1084 WeakPolarHBondContact OE2-CG2 3.48Å; E1082-T1084 PolarHBondContact O-N 3.03Å |
| 1085 | R | 68.4 | Low | 75.2 | Confident | 124 Ų | 124 | 60.8 Ų | 60.8 | 47% | 0.468 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 156.5 | -172.9 | -60.5 | -169.8 | -177.2 | -163 | 4.6 | 114.4 | M1075 F1087 | M1075-R1085 PolarHBondContact N-O 2.93Å; M1075-R1085 HydrophobicContact SD-CB 3.93Å; R1085-F1087 HydrophobicContact CB-CE2 4.32Å; R1085-F1087 HydrophobicContact CB-CZ 4.34Å |
| 1086 | L | 76 | Confident | 75.4 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 34% | 0.335 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.2 | 176.8 | -178.4 | 90.1 | 0 | 0 | 0 | 109.8 | L1068 K1072 F1073 Y1074 | L1068-L1086 HydrophobicContact CD1-CD1 4.28Å; K1072-L1086 HydrophobicContact CB-CD1 4.08Å; K1072-L1086 HydrophobicContact CD-CD1 4.28Å; F1073-L1086 CarbonylContact O-C 3.43Å; F1073-L1086 VanDerWaalsContact O-CA 3.28Å; F1073-L1086 WeakPolarHBondContact O-CA 3.49Å; Y1074-L1086 HydrophobicContact CD2-CD1 3.75Å; Y1074-L1086 HydrophobicContact CE2-CD1 4.49Å |
| 1087 | F | 79.4 | Confident | 75.5 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 17% | 0.171 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.4 | 170.4 | -53.1 | -81.9 | 0 | 0 | 0 | 109.8 | K1072 F1073 M1075 R1085 I1126 | K1072-F1087 CarbonylContact C-O 3.38Å; K1072-F1087 WeakPolarHBondContact CA-O 3.41Å; K1072-F1087 WeakPolarHBondContact CB-O 3.3Å; F1073-F1087 HydrophobicContact CB-CB 4.24Å; F1073-F1087 HydrophobicContact CB-CD2 3.96Å; F1073-F1087 PolarHBondContact N-O 2.98Å; F1073-F1087 PolarHBondContact O-N 3.39Å; M1075-F1087 HydrophobicContact SD-CE2 3.78Å; M1075-F1087 HydrophobicContact SD-CZ 4.43Å; R1085-F1087 HydrophobicContact CB-CE2 4.32Å; R1085-F1087 HydrophobicContact CB-CZ 4.34Å; F1087-I1126 HydrophobicContact CE1-CG2 3.88Å; F1087-I1126 HydrophobicContact CZ-CG2 3.43Å; F1087-I1126 VanDerWaalsContact CZ-CG2 3.43Å |
| 1088 | E | 81.1 | Confident | 75.9 | Confident | 140 Ų | 140 | 60.4 Ų | 60.4 | 65% | 0.654 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.1 | 179.9 | -178.5 | 165.4 | -154.9 | 0 | 0 | 109.9 | K1072 | K1072-E1088 VanDerWaalsContact CE-OE1 3.22Å; K1072-E1088 WeakPolarHBondContact CE-OE1 3.45Å; K1072-E1088 HydrophobicContact CG-CB 4.21Å; K1072-E1088 HydrophobicContact CG-CG 4.12Å; K1072-E1088 IonicContact NZ-OE1 3.87Å |
| 1089 | F | 81.7 | Confident | 76.6 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | trans | -94.3 | 153.9 | 179.1 | -63.8 | -73.7 | 0 | 0 | 0 | 111.8 | K1071 F1073 G1091 Y1093 I1096 F1111 I1119 | K1071-F1089 VanDerWaalsContact O-CD2 3.3Å; K1071-F1089 WeakPolarHBondContact O-CD2 3.47Å; K1071-F1089 PolarHBondContact O-N 3.04Å; K1071-F1089 VanDerWaalsContact O-N 3.12Å; F1073-F1089 AromaticContact CD2-CE2 3.29Å; F1073-F1089 HydrophobicContact CD2-CE2 3.29Å; F1073-F1089 AromaticContact CD2-CZ 3.36Å; F1073-F1089 HydrophobicContact CD2-CZ 3.36Å; F1073-F1089 AromaticContact CE2-CE2 3.48Å; F1073-F1089 HydrophobicContact CE2-CE2 3.48Å; F1073-F1089 VanDerWaalsContact CE2-CE2 3.48Å; F1073-F1089 AromaticContact CE2-CZ 3.41Å; F1073-F1089 HydrophobicContact CE2-CZ 3.41Å; F1073-F1089 VanDerWaalsContact CE2-CZ 3.41Å; F1073-F1089 HydrophobicContact CG-CE2 4.05Å; F1073-F1089 HydrophobicContact CG-CZ 4.49Å; F1073-F1089 HydrophobicContact CZ-CE2 4.4Å; F1089-G1091 PolarHBondContact O-N 3.39Å; F1089-Y1093 HydrophobicContact CB-CD2 4.43Å; F1089-I1096 HydrophobicContact CD2-CD1 3.81Å; F1089-I1096 HydrophobicContact CE2-CD1 3.93Å; F1089-F1111 HydrophobicContact CB-CE1 3.96Å; F1089-F1111 HydrophobicContact CB-CZ 4.15Å; F1089-F1111 AromaticContact CD1-CZ 3.89Å; F1089-F1111 HydrophobicContact CD1-CZ 3.89Å; F1089-F1111 HydrophobicContact CD2-CE1 4.31Å; F1089-F1111 HydrophobicContact CD2-CZ 4.11Å; F1089-F1111 HydrophobicContact CE1-CZ 4.37Å; F1089-F1111 HydrophobicContact CG-CE1 4.01Å; F1089-F1111 AromaticContact CG-CZ 3.76Å; F1089-F1111 HydrophobicContact CG-CZ 3.76Å; F1089-I1119 HydrophobicContact CE1-CD1 3.37Å; F1089-I1119 HydrophobicContact CE1-CG1 4.48Å; F1089-I1119 HydrophobicContact CZ-CD1 3.39Å | ||
| 1090 | N | 78.3 | Confident | 77.6 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | trans | -61.6 | 133.9 | 174 | -171.7 | 0.6 | 0 | 0 | 0 | 110 | D1092 Y1093 | N1090-D1092 PolarHBondContact ND2-OD2 3.15Å; N1090-D1092 PolarHBondContact O-N 3.49Å; N1090-D1092 VanDerWaalsContact O-N 3.14Å; N1090-D1092 PolarHBondContact OD1-N 3.35Å; N1090-D1092 PolarHBondContact OD1-OD2 3.32Å; N1090-Y1093 HydrophobicContact CB-CD2 4.09Å; N1090-Y1093 HydrophobicContact CB-CE2 3.81Å; N1090-Y1093 WeakPolarHBondContact O-CD2 3.43Å; N1090-Y1093 PolarHBondContact O-N 3.36Å | ||
| 1091 | G | 74.6 | Confident | 78.5 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -61.4 | -19.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1089 Y1093 G1094 | F1089-G1091 PolarHBondContact O-N 3.39Å; G1091-Y1093 PolarHBondContact O-N 3.13Å; G1091-G1094 PolarHBondContact O-N 3.13Å |
| 1092 | D | 80.6 | Confident | 79.1 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -63.3 | -25.5 | 177 | -63.5 | -25.8 | 0 | 0 | 0 | 113.2 | N1090 G1094 Q1113 | N1090-D1092 PolarHBondContact ND2-OD2 3.15Å; N1090-D1092 PolarHBondContact O-N 3.49Å; N1090-D1092 VanDerWaalsContact O-N 3.14Å; N1090-D1092 PolarHBondContact OD1-N 3.35Å; N1090-D1092 PolarHBondContact OD1-OD2 3.32Å; D1092-G1094 VanDerWaalsContact C-N 3.3Å; D1092-G1094 PolarHBondContact O-N 3.4Å; D1092-Q1113 PolarHBondContact O-NE2 3.19Å; D1092-Q1113 VanDerWaalsContact O-NE2 3.15Å; D1092-Q1113 PolarHBondContact O-OE1 3.29Å |
| 1093 | Y | 82.7 | Confident | 79.3 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 17% | 0.169 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -75.9 | -19.9 | -179.9 | -55.5 | -46.7 | 0 | 0 | 0 | 113.2 | F1089 N1090 G1091 F1111 Q1113 H1115 L1117 I1132 | F1089-Y1093 HydrophobicContact CB-CD2 4.43Å; N1090-Y1093 HydrophobicContact CB-CD2 4.09Å; N1090-Y1093 HydrophobicContact CB-CE2 3.81Å; N1090-Y1093 WeakPolarHBondContact O-CD2 3.43Å; N1090-Y1093 PolarHBondContact O-N 3.36Å; G1091-Y1093 PolarHBondContact O-N 3.13Å; Y1093-F1111 VanDerWaalsContact CB-CD1 3.45Å; Y1093-F1111 HydrophobicContact CD2-CE1 4.3Å; Y1093-F1111 HydrophobicContact CD2-CZ 4.38Å; Y1093-F1111 HydrophobicContact CG-CD1 4.45Å; Y1093-F1111 VanDerWaalsContact O-CB 3.24Å; Y1093-F1111 WeakPolarHBondContact O-CB 3.28Å; Y1093-Q1113 VanDerWaalsContact O-CB 3.31Å; Y1093-Q1113 WeakPolarHBondContact O-CB 3.48Å; Y1093-Q1113 WeakPolarHBondContact O-CG 3.07Å; Y1093-Q1113 PolarHBondContact O-N 3.41Å; Y1093-H1115 HydrophobicContact CD1-CB 4.22Å; Y1093-H1115 AromaticContact CD1-CD2 3.79Å; Y1093-H1115 AromaticContact CD1-CG 3.8Å; Y1093-L1117 HydrophobicContact CD2-CD1 4.5Å; Y1093-L1117 HydrophobicContact CD2-CD2 4.38Å; Y1093-L1117 HydrophobicContact CE2-CD2 3.97Å; Y1093-L1117 HydrophobicContact CG-CD1 4.43Å; Y1093-I1132 HydrophobicContact CD1-CD1 4.33Å; Y1093-I1132 HydrophobicContact CE1-CD1 3.42Å; Y1093-I1132 VanDerWaalsContact CE1-CD1 3.42Å; Y1093-I1132 WeakPolarHBondContact OH-CD1 3.19Å |
| 1094 | G | 83.5 | Confident | 79.9 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | trans | 88.3 | -166.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1091 D1092 | G1091-G1094 PolarHBondContact O-N 3.13Å; D1092-G1094 VanDerWaalsContact C-N 3.3Å; D1092-G1094 PolarHBondContact O-N 3.4Å | ||
| 1095 | D | 84.9 | Confident | 80.5 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -76.1 | 144.1 | 179 | -70.6 | -7.7 | 0 | 0 | 0 | 111 | K1070 V1097 F1111 Q1112 | K1070-D1095 HydrophobicContact CB-CB 3.77Å; K1070-D1095 HydrophobicContact CD-CB 3.88Å; K1070-D1095 WeakPolarHBondContact CD-OD2 3.22Å; K1070-D1095 HydrophobicContact CG-CB 4.48Å; K1070-D1095 IonicContact NZ-OD2 3.73Å; D1095-V1097 PolarHBondContact O-N 3.11Å; D1095-F1111 CarbonylContact O-C 3.49Å; D1095-F1111 WeakPolarHBondContact O-CA 3.48Å; D1095-Q1112 HydrophobicContact CB-CB 4.32Å; D1095-Q1112 WeakPolarHBondContact O-CB 3.05Å; D1095-Q1112 PolarHBondContact O-N 3.47Å |
| 1096 | I | 86.8 | Confident | 81.2 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 121.2 | 173.7 | -65 | 164 | 0 | 0 | 0 | 108.8 | V1067 K1070 F1073 F1089 F1099 F1111 | V1067-I1096 HydrophobicContact CG1-CB 4.17Å; V1067-I1096 HydrophobicContact CG1-CD1 3.75Å; V1067-I1096 HydrophobicContact CG2-CD1 4.31Å; V1067-I1096 HydrophobicContact CG2-CG2 4.26Å; K1070-I1096 WeakPolarHBondContact O-CG1 3.36Å; K1070-I1096 PolarHBondContact O-N 3.35Å; F1073-I1096 HydrophobicContact CZ-CD1 4.46Å; F1089-I1096 HydrophobicContact CD2-CD1 3.81Å; F1089-I1096 HydrophobicContact CE2-CD1 3.93Å; I1096-F1099 HydrophobicContact CG2-CD1 4.49Å; I1096-F1111 HydrophobicContact CD1-CE1 4.34Å; I1096-F1111 HydrophobicContact CG1-CD1 3.94Å; I1096-F1111 HydrophobicContact CG1-CE1 3.52Å; I1096-F1111 HydrophobicContact CG1-CZ 4Å |
| 1097 | V | 85.2 | Confident | 81.6 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 16% | 0.164 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -48.6 | -179.6 | 176 | 0 | 0 | 0 | 0 | 110.7 | K1045 D1095 G1110 Q1112 L1140 A1141 | K1045-V1097 VanDerWaalsContact CD-O 3.31Å; K1045-V1097 WeakPolarHBondContact CD-O 3.4Å; K1045-V1097 WeakPolarHBondContact CE-O 3.16Å; K1045-V1097 PolarHBondContact NZ-O 3.37Å; D1095-V1097 PolarHBondContact O-N 3.11Å; V1097-G1110 PolarHBondContact N-O 3.48Å; V1097-Q1112 HydrophobicContact CG2-CB 4.01Å; V1097-L1140 HydrophobicContact CB-CD2 4.42Å; V1097-A1141 WeakPolarHBondContact CG1-O 3.25Å |
| 1098 | E | 85.4 | Confident | 82 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 148.2 | -177.1 | -171.9 | 59.3 | -108.9 | 0 | 0 | 109.3 | K1045 K1047 G1110 V1143 | K1045-E1098 IonicContact NZ-OE2 2.83Å; K1045-E1098 PolarHBondContact NZ-OE2 2.95Å; K1047-E1098 IonicContact NZ-OE1 3.94Å; E1098-G1110 PolarHBondContact N-O 2.7Å; E1098-G1110 PolarHBondContact O-N 3.21Å; E1098-V1143 HydrophobicContact CB-CB 4.23Å; E1098-V1143 HydrophobicContact CB-CG2 4.49Å; E1098-V1143 HydrophobicContact CG-CB 4.31Å; E1098-V1143 WeakPolarHBondContact CG-O 3.4Å |
| 1099 | F | 89.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 142.6 | 175.2 | 70.7 | -81.7 | 0 | 0 | 0 | 110.8 | K1045 K1047 L1065 V1067 F1073 I1096 I1107 V1108 C1109 | K1045-F1099 HydrophobicContact CB-CD1 4.44Å; K1045-F1099 HydrophobicContact CB-CE1 3.85Å; K1047-F1099 HydrophobicContact CB-CE2 3.71Å; K1047-F1099 HydrophobicContact CB-CZ 3.8Å; K1047-F1099 HydrophobicContact CD-CD2 4.09Å; K1047-F1099 HydrophobicContact CD-CE2 3.82Å; K1047-F1099 HydrophobicContact CD-CZ 4.18Å; K1047-F1099 WeakPolarHBondContact CD-O 3.37Å; K1047-F1099 WeakPolarHBondContact CE-O 3.5Å; K1047-F1099 HydrophobicContact CG-CD2 4.43Å; K1047-F1099 HydrophobicContact CG-CE1 4.33Å; K1047-F1099 HydrophobicContact CG-CE2 3.7Å; K1047-F1099 HydrophobicContact CG-CZ 3.64Å; K1047-F1099 PolarHBondContact NZ-O 3.38Å; L1065-F1099 HydrophobicContact CB-CE2 3.92Å; L1065-F1099 HydrophobicContact CB-CZ 4.16Å; L1065-F1099 HydrophobicContact CD1-CE2 4.38Å; V1067-F1099 HydrophobicContact CG2-CD1 3.89Å; V1067-F1099 HydrophobicContact CG2-CE1 3.56Å; V1067-F1099 HydrophobicContact CG2-CZ 4.33Å; F1073-F1099 HydrophobicContact CE1-CB 4.24Å; F1073-F1099 AromaticContact CE1-CD1 3.82Å; F1073-F1099 HydrophobicContact CE1-CD1 3.82Å; F1073-F1099 AromaticContact CE1-CD2 3.71Å; F1073-F1099 HydrophobicContact CE1-CD2 3.71Å; F1073-F1099 HydrophobicContact CE1-CE1 4.05Å; F1073-F1099 AromaticContact CE1-CE2 3.93Å; F1073-F1099 HydrophobicContact CE1-CE2 3.93Å; F1073-F1099 AromaticContact CE1-CG 3.65Å; F1073-F1099 HydrophobicContact CE1-CG 3.65Å; F1073-F1099 HydrophobicContact CE1-CZ 4.1Å; F1073-F1099 HydrophobicContact CZ-CB 3.87Å; F1073-F1099 HydrophobicContact CZ-CD1 4.31Å; F1073-F1099 AromaticContact CZ-CD2 3.95Å; F1073-F1099 HydrophobicContact CZ-CD2 3.95Å; F1073-F1099 AromaticContact CZ-CG 3.79Å; F1073-F1099 HydrophobicContact CZ-CG 3.79Å; I1096-F1099 HydrophobicContact CG2-CD1 4.49Å; F1099-I1107 HydrophobicContact CB-CG2 4.27Å; F1099-I1107 HydrophobicContact CD2-CG2 4.23Å; F1099-V1108 CarbonylContact C-O 3.53Å; F1099-V1108 WeakPolarHBondContact CA-O 3.11Å; F1099-C1109 HydrophobicContact CB-CB 4.28Å |
| 1100 | H | 86.3 | Confident | 82.7 | Confident | 40 Ų | 40 | 34.7 Ų | 34.7 | 19% | 0.185 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.2 | 179 | -72 | -87.9 | 0 | 0 | 0 | 110.9 | K1047 I1107 V1108 V1143 C1145 | K1047-H1100 PolarHBondContact NZ-CE1 2.59Å; K1047-H1100 VanDerWaalsContact NZ-CG 3.28Å; K1047-H1100 PolarHBondContact NZ-ND1 2.74Å; H1100-I1107 WeakPolarHBondContact O-CA 3.35Å; H1100-V1108 PolarHBondContact N-O 3.32Å; H1100-V1108 PolarHBondContact O-N 3.38Å; H1100-V1143 PolarHBondContact CD2-O 2.8Å; H1100-V1143 PolarHBondContact NE2-O 2.87Å; H1100-C1145 HydrophobicContact CB-CB 4.47Å |
| 1101 | Y | 81.9 | Confident | 83.3 | Confident | 58 Ų | 58 | 30.9 Ų | 30.9 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 121.9 | 173.2 | -164.7 | -81.1 | 0 | 0 | 0 | 108.7 | V1049 L1065 M1105 I1107 M1121 | V1049-Y1101 HydrophobicContact CG1-CD1 4.02Å; V1049-Y1101 HydrophobicContact CG1-CE1 3.82Å; V1049-Y1101 HydrophobicContact CG1-CE2 4.4Å; V1049-Y1101 HydrophobicContact CG1-CG 4.42Å; V1049-Y1101 HydrophobicContact CG2-CD1 4.12Å; V1049-Y1101 HydrophobicContact CG2-CD2 3.77Å; V1049-Y1101 HydrophobicContact CG2-CE2 4.22Å; V1049-Y1101 HydrophobicContact CG2-CG 3.71Å; L1065-Y1101 HydrophobicContact CD1-CD2 3.9Å; L1065-Y1101 HydrophobicContact CD1-CE2 4.42Å; Y1101-M1105 HydrophobicContact CE1-SD 4.48Å; Y1101-M1105 PolarHBondContact OH-SD 3.47Å; Y1101-I1107 HydrophobicContact CD2-CD1 4.07Å; Y1101-I1107 HydrophobicContact CD2-CG1 3.71Å; Y1101-I1107 HydrophobicContact CE2-CD1 4.4Å; Y1101-I1107 HydrophobicContact CE2-CG1 4.21Å; Y1101-M1121 HydrophobicContact CE2-CB 4.17Å; Y1101-M1121 HydrophobicContact CE2-CG 3.96Å |
| 1102 | L | 79.9 | Confident | 83.8 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 153 | -178.8 | -64.8 | 176.5 | 0 | 0 | 0 | 111 | D1104 M1105 T1106 V1108 L1118 C1145 V1147 L1165 | L1102-D1104 WeakPolarHBondContact CB-OD1 3.38Å; L1102-D1104 PolarHBondContact O-N 2.84Å; L1102-D1104 VanDerWaalsContact O-N 3.07Å; L1102-M1105 PolarHBondContact O-N 2.86Å; L1102-T1106 WeakPolarHBondContact CD1-OG1 3.28Å; L1102-T1106 PolarHBondContact N-O 3.44Å; L1102-V1108 HydrophobicContact CD1-CG2 3.62Å; L1102-V1108 HydrophobicContact CG-CG2 4.25Å; L1102-L1118 HydrophobicContact CD1-CD1 4.4Å; L1102-C1145 HydrophobicContact CD2-CB 4.14Å; L1102-V1147 HydrophobicContact CD2-CG2 4.42Å; L1102-L1165 HydrophobicContact CD1-CD1 3.62Å; L1102-L1165 HydrophobicContact CD1-CG 4.29Å; L1102-L1165 HydrophobicContact CD2-CD1 3.91Å; L1102-L1165 HydrophobicContact CD2-CD2 4.43Å; L1102-L1165 HydrophobicContact CG-CD1 4.45Å |
| 1103 | P | 73.2 | Confident | 84 | Confident | 76 Ų | 76 | 33 Ų | 33 | 49% | 0.494 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.1 | -179.1 | -23.2 | 32.8 | 0 | 0 | 0 | 114.9 | M1105 V1147 | P1103-M1105 VanDerWaalsContact C-N 3.25Å; P1103-M1105 PolarHBondContact O-N 3.4Å; P1103-V1147 HydrophobicContact CG-CG1 3.99Å |
| 1104 | D | 73.3 | Confident | 84.1 | Confident | 102 Ų | 102 | 31 Ų | 31 | 55% | 0.545 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 14 | -178.9 | 70.6 | -15.8 | 0 | 0 | 0 | 113.9 | L1102 T1106 | L1102-D1104 WeakPolarHBondContact CB-OD1 3.38Å; L1102-D1104 PolarHBondContact O-N 2.84Å; L1102-D1104 VanDerWaalsContact O-N 3.07Å; D1104-T1106 VanDerWaalsContact C-N 3.35Å; D1104-T1106 WeakPolarHBondContact OD1-CB 3.1Å; D1104-T1106 PolarHBondContact OD1-N 3Å; D1104-T1106 VanDerWaalsContact OD1-N 3.15Å; D1104-T1106 PolarHBondContact OD1-OG1 3.03Å; D1104-T1106 PolarHBondContact OD2-OG1 3.25Å |
| 1105 | M | 77.2 | Confident | 84.4 | Confident | 41 Ų | 41 | 31.8 Ų | 31.8 | 20% | 0.202 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 34.6 | -176.2 | -50.1 | -74.5 | -85.7 | 0 | 0 | 112.7 | V1054 Y1101 L1102 P1103 M1121 | V1054-M1105 HydrophobicContact CG2-CE 3.41Å; V1054-M1105 VanDerWaalsContact CG2-CE 3.41Å; V1054-M1105 HydrophobicContact CG2-SD 3.89Å; Y1101-M1105 HydrophobicContact CE1-SD 4.48Å; Y1101-M1105 PolarHBondContact OH-SD 3.47Å; L1102-M1105 PolarHBondContact O-N 2.86Å; P1103-M1105 VanDerWaalsContact C-N 3.25Å; P1103-M1105 PolarHBondContact O-N 3.4Å; M1105-M1121 WeakPolarHBondContact O-CA 3.48Å; M1105-M1121 WeakPolarHBondContact O-CB 3.24Å; M1105-M1121 PolarHBondContact O-N 3.34Å |
| 1106 | T | 83.3 | Confident | 84.5 | Confident | 11 Ų | 11 | 30 Ų | 30 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153.9 | 171.1 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | L1102 D1104 I1119 I1130 | L1102-T1106 WeakPolarHBondContact CD1-OG1 3.28Å; L1102-T1106 PolarHBondContact N-O 3.44Å; D1104-T1106 VanDerWaalsContact C-N 3.35Å; D1104-T1106 WeakPolarHBondContact OD1-CB 3.1Å; D1104-T1106 PolarHBondContact OD1-N 3Å; D1104-T1106 VanDerWaalsContact OD1-N 3.15Å; D1104-T1106 PolarHBondContact OD1-OG1 3.03Å; D1104-T1106 PolarHBondContact OD2-OG1 3.25Å; T1106-I1119 CarbonylContact C-O 3.54Å; T1106-I1119 VanDerWaalsContact CA-O 3.3Å; T1106-I1119 WeakPolarHBondContact CA-O 3.44Å; T1106-I1130 HydrophobicContact CG2-CD1 3.72Å |
| 1107 | I | 85.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.5 | 175.6 | -63 | 174.7 | 0 | 0 | 0 | 108.6 | L1065 F1073 F1099 H1100 Y1101 L1118 I1119 M1121 | L1065-I1107 HydrophobicContact CD1-CD1 3.88Å; F1073-I1107 HydrophobicContact CE2-CG2 4.35Å; F1073-I1107 HydrophobicContact CZ-CG2 4.24Å; F1099-I1107 HydrophobicContact CB-CG2 4.27Å; F1099-I1107 HydrophobicContact CD2-CG2 4.23Å; H1100-I1107 WeakPolarHBondContact O-CA 3.35Å; Y1101-I1107 HydrophobicContact CD2-CD1 4.07Å; Y1101-I1107 HydrophobicContact CD2-CG1 3.71Å; Y1101-I1107 HydrophobicContact CE2-CD1 4.4Å; Y1101-I1107 HydrophobicContact CE2-CG1 4.21Å; I1107-L1118 CarbonylContact O-C 3.49Å; I1107-L1118 WeakPolarHBondContact O-CA 3.19Å; I1107-I1119 HydrophobicContact CB-CB 4.45Å; I1107-I1119 PolarHBondContact N-O 3.2Å; I1107-I1119 PolarHBondContact O-N 2.96Å; I1107-M1121 HydrophobicContact CD1-CE 4.23Å; I1107-M1121 HydrophobicContact CD1-CG 3.42Å; I1107-M1121 VanDerWaalsContact CD1-CG 3.42Å; I1107-M1121 HydrophobicContact CD1-SD 3.58Å; I1107-M1121 VanDerWaalsContact CD1-SD 3.58Å; I1107-M1121 HydrophobicContact CG1-CG 3.63Å; I1107-M1121 HydrophobicContact CG1-SD 4.42Å |
| 1108 | V | 87.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.3 | 167.6 | 178.4 | 0 | 0 | 0 | 0 | 108 | F1099 H1100 L1102 L1116 L1117 L1118 V1143 I1152 | F1099-V1108 CarbonylContact C-O 3.53Å; F1099-V1108 WeakPolarHBondContact CA-O 3.11Å; H1100-V1108 PolarHBondContact N-O 3.32Å; H1100-V1108 PolarHBondContact O-N 3.38Å; L1102-V1108 HydrophobicContact CD1-CG2 3.62Å; L1102-V1108 HydrophobicContact CG-CG2 4.25Å; V1108-L1116 HydrophobicContact CG1-CD1 3.66Å; V1108-L1116 HydrophobicContact CG1-CG 4.2Å; V1108-L1117 CarbonylContact C-O 3.53Å; V1108-L1117 WeakPolarHBondContact CA-O 3.48Å; V1108-L1118 HydrophobicContact CG2-CD1 3.48Å; V1108-L1118 VanDerWaalsContact CG2-CD1 3.48Å; V1108-V1143 HydrophobicContact CG1-CG1 4.06Å; V1108-I1152 HydrophobicContact CG1-CD1 4.43Å; V1108-I1152 HydrophobicContact CG2-CD1 4.07Å |
| 1109 | C | 88.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121.5 | -177 | -171.4 | 0 | 0 | 0 | 0 | 110.8 | F1073 F1099 F1111 L1116 L1117 I1119 | F1073-C1109 HydrophobicContact CZ-CB 4.45Å; F1099-C1109 HydrophobicContact CB-CB 4.28Å; C1109-F1111 HydrophobicContact CB-CE2 4Å; C1109-F1111 WeakPolarHBondContact SG-CE2 3.46Å; C1109-L1116 CarbonylContact O-C 3.56Å; C1109-L1116 WeakPolarHBondContact O-CA 3.32Å; C1109-L1117 PolarHBondContact N-O 3.17Å; C1109-L1117 PolarHBondContact O-N 2.94Å; C1109-I1119 HydrophobicContact CB-CD1 4.4Å |
| 1110 | G | 88.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1097 E1098 H1115 L1140 | V1097-G1110 PolarHBondContact N-O 3.48Å; E1098-G1110 PolarHBondContact N-O 2.7Å; E1098-G1110 PolarHBondContact O-N 3.21Å; G1110-H1115 CarbonylContact C-O 3.53Å; G1110-H1115 WeakPolarHBondContact CA-O 3.45Å; G1110-L1140 VanDerWaalsContact CA-CD2 3.42Å |
| 1111 | F | 90.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 153.4 | -177.5 | -65.7 | -102.4 | 0 | 0 | 0 | 112.4 | F1089 Y1093 D1095 I1096 C1109 Q1113 G1114 H1115 L1117 L1140 | F1089-F1111 HydrophobicContact CB-CE1 3.96Å; F1089-F1111 HydrophobicContact CB-CZ 4.15Å; F1089-F1111 AromaticContact CD1-CZ 3.89Å; F1089-F1111 HydrophobicContact CD1-CZ 3.89Å; F1089-F1111 HydrophobicContact CD2-CE1 4.31Å; F1089-F1111 HydrophobicContact CD2-CZ 4.11Å; F1089-F1111 HydrophobicContact CE1-CZ 4.37Å; F1089-F1111 HydrophobicContact CG-CE1 4.01Å; F1089-F1111 AromaticContact CG-CZ 3.76Å; F1089-F1111 HydrophobicContact CG-CZ 3.76Å; Y1093-F1111 VanDerWaalsContact CB-CD1 3.45Å; Y1093-F1111 HydrophobicContact CD2-CE1 4.3Å; Y1093-F1111 HydrophobicContact CD2-CZ 4.38Å; Y1093-F1111 HydrophobicContact CG-CD1 4.45Å; Y1093-F1111 VanDerWaalsContact O-CB 3.24Å; Y1093-F1111 WeakPolarHBondContact O-CB 3.28Å; D1095-F1111 CarbonylContact O-C 3.49Å; D1095-F1111 WeakPolarHBondContact O-CA 3.48Å; I1096-F1111 HydrophobicContact CD1-CE1 4.34Å; I1096-F1111 HydrophobicContact CG1-CD1 3.94Å; I1096-F1111 HydrophobicContact CG1-CE1 3.52Å; I1096-F1111 HydrophobicContact CG1-CZ 4Å; C1109-F1111 HydrophobicContact CB-CE2 4Å; C1109-F1111 WeakPolarHBondContact SG-CE2 3.46Å; F1111-Q1113 VanDerWaalsContact C-N 3.29Å; F1111-Q1113 PolarHBondContact O-N 2.85Å; F1111-G1114 PolarHBondContact O-N 3.33Å; F1111-H1115 HydrophobicContact CB-CB 4.17Å; F1111-H1115 HydrophobicContact CD2-CB 4.39Å; F1111-H1115 PolarHBondContact N-O 3.27Å; F1111-L1117 HydrophobicContact CD2-CD1 3.45Å; F1111-L1117 VanDerWaalsContact CD2-CD1 3.45Å; F1111-L1117 HydrophobicContact CE2-CB 4.09Å; F1111-L1117 HydrophobicContact CE2-CD1 3.32Å; F1111-L1117 HydrophobicContact CE2-CD2 4.12Å; F1111-L1117 HydrophobicContact CE2-CG 4.01Å; F1111-L1117 HydrophobicContact CZ-CD1 4.28Å; F1111-L1117 HydrophobicContact CZ-CD2 4.5Å; F1111-L1140 VanDerWaalsContact O-CB 3.3Å; F1111-L1140 WeakPolarHBondContact O-CB 3.31Å |
| 1112 | Q | 86.3 | Confident | 83.6 | Confident | 94 Ų | 94 | 25.7 Ų | 25.7 | 44% | 0.439 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -35.3 | -172.2 | -172.1 | -176.8 | 1.8 | 0 | 0 | 113.3 | D1095 V1097 G1114 Y1139 L1140 | D1095-Q1112 HydrophobicContact CB-CB 4.32Å; D1095-Q1112 WeakPolarHBondContact O-CB 3.05Å; D1095-Q1112 PolarHBondContact O-N 3.47Å; V1097-Q1112 HydrophobicContact CG2-CB 4.01Å; Q1112-G1114 PolarHBondContact O-N 3.49Å; Q1112-G1114 VanDerWaalsContact O-N 3.16Å; Q1112-Y1139 VanDerWaalsContact O-CA 3.29Å; Q1112-Y1139 WeakPolarHBondContact O-CA 3.43Å; Q1112-L1140 PolarHBondContact O-N 2.92Å |
| 1113 | Q | 85.1 | Confident | 83.1 | Confident | 91 Ų | 91 | 30.3 Ų | 30.3 | 43% | 0.425 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 16.3 | 177.2 | -57.6 | -173.5 | 24.1 | 0 | 0 | 113.7 | D1092 Y1093 F1111 Q1134 | D1092-Q1113 PolarHBondContact O-NE2 3.19Å; D1092-Q1113 VanDerWaalsContact O-NE2 3.15Å; D1092-Q1113 PolarHBondContact O-OE1 3.29Å; Y1093-Q1113 VanDerWaalsContact O-CB 3.31Å; Y1093-Q1113 WeakPolarHBondContact O-CB 3.48Å; Y1093-Q1113 WeakPolarHBondContact O-CG 3.07Å; Y1093-Q1113 PolarHBondContact O-N 3.41Å; F1111-Q1113 VanDerWaalsContact C-N 3.29Å; F1111-Q1113 PolarHBondContact O-N 2.85Å; Q1113-Q1134 PolarHBondContact O-NE2 3.31Å; Q1113-Q1134 VanDerWaalsContact O-NE2 3.13Å |
| 1114 | G | 85.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 86.1 | 11.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1111 Q1112 Q1134 E1135 Y1136 | F1111-G1114 PolarHBondContact O-N 3.33Å; Q1112-G1114 PolarHBondContact O-N 3.49Å; Q1112-G1114 VanDerWaalsContact O-N 3.16Å; G1114-Q1134 CarbonylContact O-C 3.58Å; G1114-Q1134 WeakPolarHBondContact O-CA 3.42Å; G1114-E1135 PolarHBondContact O-N 2.7Å; G1114-Y1136 WeakPolarHBondContact CA-O 3.37Å |
| 1115 | H | 88.2 | Confident | 83.1 | Confident | 26 Ų | 26 | 37.1 Ų | 37.1 | 12% | 0.12 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 136 | 177.1 | -64.4 | -80.4 | 0 | 0 | 0 | 111.8 | Y1093 G1110 F1111 L1117 V1133 Q1134 | Y1093-H1115 HydrophobicContact CD1-CB 4.22Å; Y1093-H1115 AromaticContact CD1-CD2 3.79Å; Y1093-H1115 AromaticContact CD1-CG 3.8Å; G1110-H1115 CarbonylContact C-O 3.53Å; G1110-H1115 WeakPolarHBondContact CA-O 3.45Å; F1111-H1115 HydrophobicContact CB-CB 4.17Å; F1111-H1115 HydrophobicContact CD2-CB 4.39Å; F1111-H1115 PolarHBondContact N-O 3.27Å; H1115-L1117 HydrophobicContact CB-CD1 3.86Å; H1115-V1133 CarbonylContact C-O 3.6Å; H1115-V1133 VanDerWaalsContact CA-O 3.32Å; H1115-V1133 WeakPolarHBondContact CA-O 3.21Å; H1115-Q1134 VanDerWaalsContact CE1-CD 3.41Å; H1115-Q1134 PolarHBondContact CE1-OE1 2.93Å |
| 1116 | L | 87.4 | Confident | 82.9 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.9 | 169.9 | -171.1 | 76.6 | 0 | 0 | 0 | 108.1 | V1108 C1109 I1132 V1133 E1135 V1143 T1154 I1168 | V1108-L1116 HydrophobicContact CG1-CD1 3.66Å; V1108-L1116 HydrophobicContact CG1-CG 4.2Å; C1109-L1116 CarbonylContact O-C 3.56Å; C1109-L1116 WeakPolarHBondContact O-CA 3.32Å; L1116-I1132 WeakPolarHBondContact O-CA 3.31Å; L1116-V1133 HydrophobicContact CB-CG1 3.79Å; L1116-V1133 HydrophobicContact CD2-CG1 4.31Å; L1116-V1133 PolarHBondContact N-O 3.21Å; L1116-V1133 PolarHBondContact O-N 3.25Å; L1116-E1135 WeakPolarHBondContact CD2-OE1 3.32Å; L1116-V1143 HydrophobicContact CD1-CG1 4.02Å; L1116-V1143 HydrophobicContact CD1-CG2 3.86Å; L1116-T1154 HydrophobicContact CD1-CG2 4.14Å; L1116-T1154 HydrophobicContact CD2-CG2 4.13Å; L1116-I1168 HydrophobicContact CD2-CG2 4.23Å |
| 1117 | L | 89.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.8 | -179.1 | -78.9 | 81.5 | 0 | 0 | 0 | 110.1 | Y1093 V1108 C1109 F1111 H1115 I1119 I1129 F1131 I1132 | Y1093-L1117 HydrophobicContact CD2-CD1 4.5Å; Y1093-L1117 HydrophobicContact CD2-CD2 4.38Å; Y1093-L1117 HydrophobicContact CE2-CD2 3.97Å; Y1093-L1117 HydrophobicContact CG-CD1 4.43Å; V1108-L1117 CarbonylContact C-O 3.53Å; V1108-L1117 WeakPolarHBondContact CA-O 3.48Å; C1109-L1117 PolarHBondContact N-O 3.17Å; C1109-L1117 PolarHBondContact O-N 2.94Å; F1111-L1117 HydrophobicContact CD2-CD1 3.45Å; F1111-L1117 VanDerWaalsContact CD2-CD1 3.45Å; F1111-L1117 HydrophobicContact CE2-CB 4.09Å; F1111-L1117 HydrophobicContact CE2-CD1 3.32Å; F1111-L1117 HydrophobicContact CE2-CD2 4.12Å; F1111-L1117 HydrophobicContact CE2-CG 4.01Å; F1111-L1117 HydrophobicContact CZ-CD1 4.28Å; F1111-L1117 HydrophobicContact CZ-CD2 4.5Å; H1115-L1117 HydrophobicContact CB-CD1 3.86Å; L1117-I1119 HydrophobicContact CB-CG1 4.49Å; L1117-I1129 HydrophobicContact CD2-CD1 3.85Å; L1117-I1129 HydrophobicContact CD2-CG1 4.22Å; L1117-I1129 HydrophobicContact CD2-CG2 4.28Å; L1117-F1131 CarbonylContact C-O 3.47Å; L1117-F1131 WeakPolarHBondContact CA-O 3.43Å; L1117-I1132 HydrophobicContact CD1-CD1 4.12Å; L1117-I1132 HydrophobicContact CD1-CG1 4.1Å; L1117-I1132 HydrophobicContact CD2-CD1 4.41Å; L1117-I1132 HydrophobicContact CG-CB 4.43Å; L1117-I1132 HydrophobicContact CG-CD1 4.18Å; L1117-I1132 HydrophobicContact CG-CG1 4.07Å |
| 1118 | L | 86.6 | Confident | 82.2 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124 | 168.2 | -169.8 | 77.9 | 0 | 0 | 0 | 108.7 | L1102 I1107 V1108 I1129 I1130 F1131 I1168 | L1102-L1118 HydrophobicContact CD1-CD1 4.4Å; I1107-L1118 CarbonylContact O-C 3.49Å; I1107-L1118 WeakPolarHBondContact O-CA 3.19Å; V1108-L1118 HydrophobicContact CG2-CD1 3.48Å; V1108-L1118 VanDerWaalsContact CG2-CD1 3.48Å; L1118-I1129 CarbonylContact O-C 3.59Å; L1118-I1129 WeakPolarHBondContact O-CA 3.39Å; L1118-I1130 HydrophobicContact CB-CB 4.33Å; L1118-I1130 HydrophobicContact CD2-CB 3.9Å; L1118-I1130 HydrophobicContact CD2-CD1 3.9Å; L1118-I1130 HydrophobicContact CD2-CG2 3.87Å; L1118-I1130 HydrophobicContact CG-CB 4.28Å; L1118-I1130 HydrophobicContact CG-CD1 4.19Å; L1118-I1130 PolarHBondContact O-N 3.41Å; L1118-F1131 HydrophobicContact CB-CB 3.94Å; L1118-F1131 PolarHBondContact N-O 2.79Å; L1118-F1131 PolarHBondContact O-N 3.2Å; L1118-I1168 HydrophobicContact CB-CD1 4.22Å; L1118-I1168 HydrophobicContact CD1-CD1 3.73Å; L1118-I1168 HydrophobicContact CD2-CD1 3.78Å; L1118-I1168 HydrophobicContact CG-CD1 4.12Å |
| 1119 | I | 86.8 | Confident | 82 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.4 | -173.1 | -55.3 | 164.9 | 0 | 0 | 0 | 109.4 | F1073 F1089 T1106 I1107 C1109 L1117 Q1128 | F1073-I1119 HydrophobicContact CE2-CD1 4.14Å; F1089-I1119 HydrophobicContact CE1-CD1 3.37Å; F1089-I1119 HydrophobicContact CE1-CG1 4.48Å; F1089-I1119 HydrophobicContact CZ-CD1 3.39Å; T1106-I1119 CarbonylContact C-O 3.54Å; T1106-I1119 VanDerWaalsContact CA-O 3.3Å; T1106-I1119 WeakPolarHBondContact CA-O 3.44Å; I1107-I1119 HydrophobicContact CB-CB 4.45Å; I1107-I1119 PolarHBondContact N-O 3.2Å; I1107-I1119 PolarHBondContact O-N 2.96Å; C1109-I1119 HydrophobicContact CB-CD1 4.4Å; L1117-I1119 HydrophobicContact CB-CG1 4.49Å; I1119-Q1128 WeakPolarHBondContact CA-O 3.34Å |
| 1120 | S | 83.9 | Confident | 81.8 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 135.7 | 176.4 | -167.3 | 0 | 0 | 0 | 0 | 112 | A1122 R1125 I1126 G1127 Q1128 | S1120-A1122 PolarHBondContact OG-N 2.8Å; S1120-R1125 WeakPolarHBondContact CB-O 3.48Å; S1120-I1126 CarbonylContact O-C 3.55Å; S1120-I1126 WeakPolarHBondContact O-CA 3.31Å; S1120-G1127 PolarHBondContact O-N 2.75Å; S1120-Q1128 PolarHBondContact N-O 3.45Å |
| 1121 | M | 77.4 | Confident | 81.6 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | trans | -111.2 | 7.3 | 170.4 | -64.8 | -63.5 | -70.3 | 0 | 0 | 112.5 | M1075 Y1101 M1105 I1107 I1126 | M1075-M1121 HydrophobicContact CE-CE 3.99Å; M1075-M1121 HydrophobicContact SD-CE 3.71Å; Y1101-M1121 HydrophobicContact CE2-CB 4.17Å; Y1101-M1121 HydrophobicContact CE2-CG 3.96Å; M1105-M1121 WeakPolarHBondContact O-CA 3.48Å; M1105-M1121 WeakPolarHBondContact O-CB 3.24Å; M1105-M1121 PolarHBondContact O-N 3.34Å; I1107-M1121 HydrophobicContact CD1-CE 4.23Å; I1107-M1121 HydrophobicContact CD1-CG 3.42Å; I1107-M1121 VanDerWaalsContact CD1-CG 3.42Å; I1107-M1121 HydrophobicContact CD1-SD 3.58Å; I1107-M1121 VanDerWaalsContact CD1-SD 3.58Å; I1107-M1121 HydrophobicContact CG1-CG 3.63Å; I1107-M1121 HydrophobicContact CG1-SD 4.42Å; M1121-I1126 HydrophobicContact SD-CG2 4.4Å | ||
| 1122 | A | 73.1 | Confident | 81.4 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -64 | 139 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1120 D1124 R1125 I1126 | S1120-A1122 PolarHBondContact OG-N 2.8Å; A1122-D1124 PolarHBondContact O-N 2.86Å; A1122-R1125 CarbonylContact O-C 3.57Å; A1122-R1125 PolarHBondContact O-N 2.77Å; A1122-I1126 WeakPolarHBondContact O-CG1 3.41Å; A1122-I1126 PolarHBondContact O-N 2.9Å |
| 1123 | P | 68.9 | Low | 81.4 | Confident | 101 Ų | 101 | 54.8 Ų | 54.8 | 66% | 0.656 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -32.8 | -172.5 | 13.7 | -27.5 | 0 | 0 | 0 | 115 | ||
| 1124 | D | 73.3 | Confident | 81.5 | Confident | 156 Ų | 156 | 55.6 Ų | 55.6 | 83% | 0.834 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -22.2 | -178.7 | -56.4 | -26.1 | 0 | 0 | 0 | 114.2 | A1122 | A1122-D1124 PolarHBondContact O-N 2.86Š|
| 1125 | R | 71.9 | Confident | 81.3 | Confident | 164 Ų | 164 | 56.2 Ų | 56.2 | 62% | 0.619 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | 20.4 | -171.6 | -62.8 | -174.7 | -174.8 | -177.5 | 2.7 | 113.1 | S1120 A1122 G1127 Q1128 | S1120-R1125 WeakPolarHBondContact CB-O 3.48Å; A1122-R1125 CarbonylContact O-C 3.57Å; A1122-R1125 PolarHBondContact O-N 2.77Å; R1125-G1127 PolarHBondContact O-N 2.97Å; R1125-Q1128 HydrophobicContact CB-CB 4.32Å; R1125-Q1128 WeakPolarHBondContact O-CB 3.27Å; R1125-Q1128 PolarHBondContact O-N 2.96Å |
| 1126 | I | 73.9 | Confident | 81.2 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 123.3 | -175.8 | -58.6 | -176.2 | 0 | 0 | 0 | 110.5 | F1087 S1120 M1121 A1122 | F1087-I1126 HydrophobicContact CE1-CG2 3.88Å; F1087-I1126 HydrophobicContact CZ-CG2 3.43Å; F1087-I1126 VanDerWaalsContact CZ-CG2 3.43Å; S1120-I1126 CarbonylContact O-C 3.55Å; S1120-I1126 WeakPolarHBondContact O-CA 3.31Å; M1121-I1126 HydrophobicContact SD-CG2 4.4Å; A1122-I1126 WeakPolarHBondContact O-CG1 3.41Å; A1122-I1126 PolarHBondContact O-N 2.9Å |
| 1127 | G | 71.8 | Confident | 80.8 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -0.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1120 R1125 | S1120-G1127 PolarHBondContact O-N 2.75Å; R1125-G1127 PolarHBondContact O-N 2.97Å |
| 1128 | Q | 82.4 | Confident | 80.4 | Confident | 105 Ų | 105 | 71.6 Ų | 71.6 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | trans | -75.1 | 126.4 | 178.1 | -169.5 | 175.7 | 8.6 | 0 | 0 | 111.1 | I1119 S1120 R1125 I1130 | I1119-Q1128 WeakPolarHBondContact CA-O 3.34Å; S1120-Q1128 PolarHBondContact N-O 3.45Å; R1125-Q1128 HydrophobicContact CB-CB 4.32Å; R1125-Q1128 WeakPolarHBondContact O-CB 3.27Å; R1125-Q1128 PolarHBondContact O-N 2.96Å; Q1128-I1130 PolarHBondContact O-N 2.85Å | ||
| 1129 | I | 83.4 | Confident | 80.4 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 115.2 | 172.8 | -57.4 | 168.6 | 0 | 0 | 0 | 108.5 | L1117 L1118 I1132 | L1117-I1129 HydrophobicContact CD2-CD1 3.85Å; L1117-I1129 HydrophobicContact CD2-CG1 4.22Å; L1117-I1129 HydrophobicContact CD2-CG2 4.28Å; L1118-I1129 CarbonylContact O-C 3.59Å; L1118-I1129 WeakPolarHBondContact O-CA 3.39Å; I1129-I1132 HydrophobicContact CG2-CB 4.49Å |
| 1130 | I | 83.6 | Confident | 80.4 | Confident | 93 Ų | 93 | 72 Ų | 72 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -42.7 | 177.5 | -58.8 | 167.7 | 0 | 0 | 0 | 110.2 | T1106 L1118 Q1128 | T1106-I1130 HydrophobicContact CG2-CD1 3.72Å; L1118-I1130 HydrophobicContact CB-CB 4.33Å; L1118-I1130 HydrophobicContact CD2-CB 3.9Å; L1118-I1130 HydrophobicContact CD2-CD1 3.9Å; L1118-I1130 HydrophobicContact CD2-CG2 3.87Å; L1118-I1130 HydrophobicContact CG-CB 4.28Å; L1118-I1130 HydrophobicContact CG-CD1 4.19Å; L1118-I1130 PolarHBondContact O-N 3.41Å; Q1128-I1130 PolarHBondContact O-N 2.85Å |
| 1131 | F | 84.4 | Confident | 80.3 | Confident | 64 Ų | 64 | 72.2 Ų | 72.2 | 28% | 0.281 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 146.4 | -174.7 | -173.6 | -104.4 | 0 | 0 | 0 | 111.3 | L1117 L1118 V1133 I1168 | L1117-F1131 CarbonylContact C-O 3.47Å; L1117-F1131 WeakPolarHBondContact CA-O 3.43Å; L1118-F1131 HydrophobicContact CB-CB 3.94Å; L1118-F1131 PolarHBondContact N-O 2.79Å; L1118-F1131 PolarHBondContact O-N 3.2Å; F1131-V1133 HydrophobicContact CD1-CG1 4.38Å; F1131-V1133 HydrophobicContact CE1-CB 3.65Å; F1131-V1133 HydrophobicContact CE1-CG1 3.62Å; F1131-V1133 HydrophobicContact CZ-CB 4.03Å; F1131-V1133 HydrophobicContact CZ-CG1 4.43Å; F1131-I1168 HydrophobicContact CD1-CB 4.08Å; F1131-I1168 HydrophobicContact CD1-CG2 3.78Å; F1131-I1168 HydrophobicContact CE1-CB 4.11Å; F1131-I1168 HydrophobicContact CE1-CG2 3.68Å |
| 1132 | I | 86.6 | Confident | 80.6 | Confident | 77 Ų | 77 | 71.7 Ų | 71.7 | 40% | 0.395 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 132.4 | 175.2 | -175 | 167.6 | 0 | 0 | 0 | 109.8 | Y1093 L1116 L1117 I1129 | Y1093-I1132 HydrophobicContact CD1-CD1 4.33Å; Y1093-I1132 HydrophobicContact CE1-CD1 3.42Å; Y1093-I1132 VanDerWaalsContact CE1-CD1 3.42Å; Y1093-I1132 WeakPolarHBondContact OH-CD1 3.19Å; L1116-I1132 WeakPolarHBondContact O-CA 3.31Å; L1117-I1132 HydrophobicContact CD1-CD1 4.12Å; L1117-I1132 HydrophobicContact CD1-CG1 4.1Å; L1117-I1132 HydrophobicContact CD2-CD1 4.41Å; L1117-I1132 HydrophobicContact CG-CB 4.43Å; L1117-I1132 HydrophobicContact CG-CD1 4.18Å; L1117-I1132 HydrophobicContact CG-CG1 4.07Å; I1129-I1132 HydrophobicContact CG2-CB 4.49Å |
| 1133 | V | 87.3 | Confident | 81.3 | Confident | 30 Ų | 30 | 70.3 Ų | 70.3 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 141.4 | 173.5 | 63.2 | 0 | 0 | 0 | 0 | 110.2 | H1115 L1116 F1131 E1135 | H1115-V1133 CarbonylContact C-O 3.6Å; H1115-V1133 VanDerWaalsContact CA-O 3.32Å; H1115-V1133 WeakPolarHBondContact CA-O 3.21Å; L1116-V1133 HydrophobicContact CB-CG1 3.79Å; L1116-V1133 HydrophobicContact CD2-CG1 4.31Å; L1116-V1133 PolarHBondContact N-O 3.21Å; L1116-V1133 PolarHBondContact O-N 3.25Å; F1131-V1133 HydrophobicContact CD1-CG1 4.38Å; F1131-V1133 HydrophobicContact CE1-CB 3.65Å; F1131-V1133 HydrophobicContact CE1-CG1 3.62Å; F1131-V1133 HydrophobicContact CZ-CB 4.03Å; F1131-V1133 HydrophobicContact CZ-CG1 4.43Å; V1133-E1135 HydrophobicContact CG1-CG 3.96Å; V1133-E1135 HydrophobicContact CG2-CG 4.21Å |
| 1134 | Q | 86.8 | Confident | 82.2 | Confident | 108 Ų | 108 | 66.1 Ų | 66.1 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 108.6 | 168.4 | -166.9 | 175.5 | 8.2 | 0 | 0 | 108.6 | Q1113 G1114 H1115 | Q1113-Q1134 PolarHBondContact O-NE2 3.31Å; Q1113-Q1134 VanDerWaalsContact O-NE2 3.13Å; G1114-Q1134 CarbonylContact O-C 3.58Å; G1114-Q1134 WeakPolarHBondContact O-CA 3.42Å; H1115-Q1134 VanDerWaalsContact CE1-CD 3.41Å; H1115-Q1134 PolarHBondContact CE1-OE1 2.93Å |
| 1135 | E | 80.8 | Confident | 82.8 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | trans | -94.5 | -30.1 | -174.2 | -70.8 | -177.8 | -176.6 | 0 | 0 | 114.2 | G1114 L1116 V1133 T1154 K1161 R1163 | G1114-E1135 PolarHBondContact O-N 2.7Å; L1116-E1135 WeakPolarHBondContact CD2-OE1 3.32Å; V1133-E1135 HydrophobicContact CG1-CG 3.96Å; V1133-E1135 HydrophobicContact CG2-CG 4.21Å; E1135-T1154 WeakPolarHBondContact OE2-CB 3.38Å; E1135-T1154 WeakPolarHBondContact OE2-CG2 3.34Å; E1135-T1154 PolarHBondContact OE2-OG1 3.36Å; E1135-K1161 PolarHBondContact O-NZ 3.29Å; E1135-R1163 WeakPolarHBondContact OE1-CD 3.42Å; E1135-R1163 IonicContact OE1-CZ 2.75Å; E1135-R1163 IonicContact OE1-NE 2.83Å; E1135-R1163 PolarHBondContact OE1-NE 2.81Å; E1135-R1163 IonicContact OE1-NH2 2.69Å; E1135-R1163 PolarHBondContact OE1-NH2 2.84Å | ||
| 1136 | Y | 84.8 | Confident | 83.1 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | trans | -126.9 | 146.1 | -174.9 | -58.4 | -75.1 | 0 | 0 | 0 | 109.1 | G1114 Y1139 L1140 T1154 A1155 G1156 D1157 S1159 K1161 | G1114-Y1136 WeakPolarHBondContact CA-O 3.37Å; Y1136-Y1139 WeakPolarHBondContact CB-O 3.37Å; Y1136-L1140 HydrophobicContact CD2-CD1 3.46Å; Y1136-L1140 VanDerWaalsContact CD2-CD1 3.46Å; Y1136-L1140 HydrophobicContact CE2-CD1 3.5Å; Y1136-L1140 VanDerWaalsContact CE2-CD1 3.5Å; Y1136-T1154 VanDerWaalsContact OH-C 3.28Å; Y1136-T1154 PolarHBondContact OH-O 3.07Å; Y1136-T1154 PolarHBondContact OH-OG1 3.23Å; Y1136-A1155 VanDerWaalsContact OH-CA 3.29Å; Y1136-A1155 WeakPolarHBondContact OH-CA 3.48Å; Y1136-A1155 PolarHBondContact OH-N 3.05Å; Y1136-G1156 WeakPolarHBondContact CD1-O 3.05Å; Y1136-G1156 VanDerWaalsContact CE1-C 3.42Å; Y1136-G1156 WeakPolarHBondContact CE1-O 3.33Å; Y1136-D1157 HydrophobicContact CD1-CB 3.98Å; Y1136-S1159 WeakPolarHBondContact CE1-O 3.26Å; Y1136-S1159 WeakPolarHBondContact CE1-OG 3.34Å; Y1136-S1159 PolarHBondContact OH-O 3.44Å; Y1136-K1161 HydrophobicContact CE1-CD 4.32Å; Y1136-K1161 PolarHBondContact OH-N 2.85Å | ||
| 1137 | Q | 80.8 | Confident | 83.2 | Confident | 177 Ų | 177 | 53.4 Ų | 53.4 | 83% | 0.827 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -97 | -34 | -177.8 | -66.9 | -172.9 | -9.4 | 0 | 0 | 112.6 | D1157 | Q1137-D1157 PolarHBondContact N-OD2 2.87Š|
| 1138 | K | 79.9 | Confident | 82.9 | Confident | 176 Ų | 176 | 59 Ų | 59 | 77% | 0.765 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -99.1 | -52.3 | -177 | -50.5 | 176.6 | 176.3 | 175.2 | 0 | 111.9 | D1157 | K1138-D1157 WeakPolarHBondContact CA-OD1 3.39Å; K1138-D1157 WeakPolarHBondContact CB-OD1 3.08Å; K1138-D1157 PolarHBondContact N-OD1 2.89Å; K1138-D1157 PolarHBondContact N-OD2 3.45Å |
| 1139 | Y | 85.9 | Confident | 82.1 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | trans | -159.1 | 151 | 178.4 | 74.4 | -72.9 | 0 | 0 | 0 | 113.3 | Q1112 Y1136 A1141 G1156 D1157 Y1183 I1184 | Q1112-Y1139 VanDerWaalsContact O-CA 3.29Å; Q1112-Y1139 WeakPolarHBondContact O-CA 3.43Å; Y1136-Y1139 WeakPolarHBondContact CB-O 3.37Å; Y1139-A1141 HydrophobicContact CD2-CB 4.4Å; Y1139-A1141 HydrophobicContact CE2-CB 3.95Å; Y1139-G1156 WeakPolarHBondContact O-CA 3.35Å; Y1139-D1157 PolarHBondContact N-OD1 3.49Å; Y1139-D1157 PolarHBondContact O-N 3.25Å; Y1139-Y1183 HydrophobicContact CD1-CE2 4.29Å; Y1139-Y1183 HydrophobicContact CD2-CE2 4.12Å; Y1139-Y1183 HydrophobicContact CE1-CD2 4.16Å; Y1139-Y1183 AromaticContact CE1-CE2 3.89Å; Y1139-Y1183 HydrophobicContact CE1-CE2 3.89Å; Y1139-Y1183 HydrophobicContact CE2-CD2 4.18Å; Y1139-Y1183 HydrophobicContact CE2-CE1 4.23Å; Y1139-Y1183 AromaticContact CE2-CE2 3.68Å; Y1139-Y1183 HydrophobicContact CE2-CE2 3.68Å; Y1139-Y1183 AromaticContact CE2-CZ 3.71Å; Y1139-Y1183 HydrophobicContact CG-CE2 4.41Å; Y1139-Y1183 AromaticContact CZ-CD2 3.73Å; Y1139-Y1183 AromaticContact CZ-CE2 3.57Å; Y1139-I1184 PolarHBondContact OH-N 3.3Å | ||
| 1140 | L | 87.3 | Confident | 81.5 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.6 | 163.7 | -175.4 | 72.2 | 0 | 0 | 0 | 109.3 | V1097 G1110 F1111 Q1112 Y1136 V1143 A1155 | V1097-L1140 HydrophobicContact CB-CD2 4.42Å; G1110-L1140 VanDerWaalsContact CA-CD2 3.42Å; F1111-L1140 VanDerWaalsContact O-CB 3.3Å; F1111-L1140 WeakPolarHBondContact O-CB 3.31Å; Q1112-L1140 PolarHBondContact O-N 2.92Å; Y1136-L1140 HydrophobicContact CD2-CD1 3.46Å; Y1136-L1140 VanDerWaalsContact CD2-CD1 3.46Å; Y1136-L1140 HydrophobicContact CE2-CD1 3.5Å; Y1136-L1140 VanDerWaalsContact CE2-CD1 3.5Å; L1140-V1143 HydrophobicContact CD1-CG2 4.45Å; L1140-V1143 HydrophobicContact CD2-CG2 3.8Å; L1140-V1143 HydrophobicContact CG-CG2 4.47Å; L1140-A1155 WeakPolarHBondContact CD1-O 3.31Å |
| 1141 | A | 81.5 | Confident | 81.3 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1097 Y1139 A1155 I1184 L1187 | V1097-A1141 WeakPolarHBondContact CG1-O 3.25Å; Y1139-A1141 HydrophobicContact CD2-CB 4.4Å; Y1139-A1141 HydrophobicContact CE2-CB 3.95Å; A1141-A1155 WeakPolarHBondContact CA-O 3.09Å; A1141-A1155 WeakPolarHBondContact CB-O 3.46Å; A1141-A1155 PolarHBondContact N-O 2.82Å; A1141-I1184 HydrophobicContact CB-CB 3.85Å; A1141-I1184 HydrophobicContact CB-CG2 3.7Å; A1141-I1184 WeakPolarHBondContact CB-O 3.17Å; A1141-L1187 HydrophobicContact CB-CD1 4.22Å |
| 1142 | G | 84 | Confident | 81.4 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | 168.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1154 A1155 | G1142-T1154 WeakPolarHBondContact O-CA 3.21Å; G1142-A1155 PolarHBondContact N-O 2.84Å; G1142-A1155 PolarHBondContact O-N 2.86Å; G1142-A1155 VanDerWaalsContact O-N 3.07Å |
| 1143 | V | 88.7 | Confident | 81.3 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 132.9 | 179.2 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | E1098 H1100 V1108 L1116 L1140 I1152 T1153 T1154 | E1098-V1143 HydrophobicContact CB-CB 4.23Å; E1098-V1143 HydrophobicContact CB-CG2 4.49Å; E1098-V1143 HydrophobicContact CG-CB 4.31Å; E1098-V1143 WeakPolarHBondContact CG-O 3.4Å; H1100-V1143 PolarHBondContact CD2-O 2.8Å; H1100-V1143 PolarHBondContact NE2-O 2.87Å; V1108-V1143 HydrophobicContact CG1-CG1 4.06Å; L1116-V1143 HydrophobicContact CD1-CG1 4.02Å; L1116-V1143 HydrophobicContact CD1-CG2 3.86Å; L1140-V1143 HydrophobicContact CD1-CG2 4.45Å; L1140-V1143 HydrophobicContact CD2-CG2 3.8Å; L1140-V1143 HydrophobicContact CG-CG2 4.47Å; V1143-I1152 HydrophobicContact CG1-CG2 3.89Å; V1143-T1153 CarbonylContact C-O 3.54Å; V1143-T1154 HydrophobicContact CG1-CG2 4.24Å; V1143-T1154 HydrophobicContact CG2-CG2 4.18Å |
| 1144 | V | 87.2 | Confident | 81.4 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.6 | 175.5 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | I1152 T1153 L1187 L1189 L1196 | V1144-I1152 CarbonylContact O-C 3.5Å; V1144-I1152 WeakPolarHBondContact O-CA 3.41Å; V1144-T1153 PolarHBondContact N-O 2.79Å; V1144-T1153 PolarHBondContact O-N 3.44Å; V1144-L1187 HydrophobicContact CG2-CB 3.57Å; V1144-L1187 WeakPolarHBondContact CG2-O 3.21Å; V1144-L1189 HydrophobicContact CB-CB 4.43Å; V1144-L1189 HydrophobicContact CG1-CB 3.27Å; V1144-L1189 HydrophobicContact CG1-CD2 4.24Å; V1144-L1189 HydrophobicContact CG1-CG 4.36Å; V1144-L1196 HydrophobicContact CG2-CD1 4.4Å |
| 1145 | C | 85.2 | Confident | 81.3 | Confident | 16 Ų | 16 | 37.2 Ų | 37.2 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125 | -180 | -65.2 | 0 | 0 | 0 | 0 | 109.8 | H1100 L1102 | H1100-C1145 HydrophobicContact CB-CB 4.47Å; L1102-C1145 HydrophobicContact CD2-CB 4.14Å |
| 1146 | N | 79.8 | Confident | 81.4 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 95.9 | 169.3 | -171.8 | -21.3 | 0 | 0 | 0 | 108.5 | E1148 A1149 G1150 T1151 L1189 G1193 | N1146-E1148 VanDerWaalsContact C-N 3.31Å; N1146-E1148 PolarHBondContact O-N 2.87Å; N1146-E1148 PolarHBondContact OD1-N 2.89Å; N1146-A1149 HydrophobicContact CB-CB 4.18Å; N1146-A1149 VanDerWaalsContact CG-CB 3.42Å; N1146-A1149 VanDerWaalsContact ND2-CB 3.31Å; N1146-A1149 WeakPolarHBondContact ND2-CB 3.21Å; N1146-A1149 PolarHBondContact OD1-N 2.75Å; N1146-G1150 WeakPolarHBondContact O-CA 3.13Å; N1146-G1150 PolarHBondContact O-N 2.69Å; N1146-T1151 PolarHBondContact N-O 2.69Å; N1146-T1151 PolarHBondContact O-N 3.25Å; N1146-L1189 HydrophobicContact CB-CD2 3.52Å; N1146-G1193 WeakPolarHBondContact ND2-CA 3.49Å; N1146-G1193 PolarHBondContact ND2-O 3.13Å |
| 1147 | V | 76.1 | Confident | 81.3 | Confident | 80 Ų | 80 | 38.5 Ų | 38.5 | 49% | 0.485 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -34.8 | -178 | -176.4 | 0 | 0 | 0 | 0 | 111 | L1102 P1103 G1150 | L1102-V1147 HydrophobicContact CD2-CG2 4.42Å; P1103-V1147 HydrophobicContact CG-CG1 3.99Å; V1147-G1150 PolarHBondContact O-N 3.07Å |
| 1148 | E | 65.4 | Low | 81.1 | Confident | 146 Ų | 146 | 32.1 Ų | 32.1 | 68% | 0.682 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -40.8 | -179.9 | -61.1 | -163.9 | 155.5 | 0 | 0 | 113 | N1146 G1150 | N1146-E1148 VanDerWaalsContact C-N 3.31Å; N1146-E1148 PolarHBondContact O-N 2.87Å; N1146-E1148 PolarHBondContact OD1-N 2.89Å; E1148-G1150 VanDerWaalsContact C-N 3.34Å |
| 1149 | A | 63.8 | Low | 81.2 | Confident | 57 Ų | 57 | 24.4 Ų | 24.4 | 47% | 0.471 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1146 | N1146-A1149 HydrophobicContact CB-CB 4.18Å; N1146-A1149 VanDerWaalsContact CG-CB 3.42Å; N1146-A1149 VanDerWaalsContact ND2-CB 3.31Å; N1146-A1149 WeakPolarHBondContact ND2-CB 3.21Å; N1146-A1149 PolarHBondContact OD1-N 2.75Å |
| 1150 | G | 72.7 | Confident | 81 | Confident | 14 Ų | 14 | 23.7 Ų | 23.7 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 40.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | N1146 V1147 E1148 L1165 | N1146-G1150 WeakPolarHBondContact O-CA 3.13Å; N1146-G1150 PolarHBondContact O-N 2.69Å; V1147-G1150 PolarHBondContact O-N 3.07Å; E1148-G1150 VanDerWaalsContact C-N 3.34Å; G1150-L1165 VanDerWaalsContact C-CB 3.48Å; G1150-L1165 VanDerWaalsContact O-CB 3.31Å; G1150-L1165 WeakPolarHBondContact O-CB 3.43Å; G1150-L1165 PolarHBondContact O-N 2.86Å |
| 1151 | T | 78.6 | Confident | 80.8 | Confident | 19 Ų | 19 | 25.5 Ų | 25.5 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 154.9 | -179.1 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | N1146 T1162 R1163 | N1146-T1151 PolarHBondContact N-O 2.69Å; N1146-T1151 PolarHBondContact O-N 3.25Å; T1151-T1162 HydrophobicContact CG2-CG2 4.28Å; T1151-R1163 CarbonylContact C-O 3.54Å; T1151-R1163 WeakPolarHBondContact CA-O 3.23Å; T1151-R1163 VanDerWaalsContact CB-O 3.3Å; T1151-R1163 WeakPolarHBondContact CB-O 3.24Å |
| 1152 | I | 86 | Confident | 80.8 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.3 | 173.4 | -52.7 | 174.9 | 0 | 0 | 0 | 108.1 | V1108 V1143 V1144 T1154 T1162 R1163 L1165 I1168 | V1108-I1152 HydrophobicContact CG1-CD1 4.43Å; V1108-I1152 HydrophobicContact CG2-CD1 4.07Å; V1143-I1152 HydrophobicContact CG1-CG2 3.89Å; V1144-I1152 CarbonylContact O-C 3.5Å; V1144-I1152 WeakPolarHBondContact O-CA 3.41Å; I1152-T1154 HydrophobicContact CG2-CG2 4.28Å; I1152-T1162 CarbonylContact O-C 3.52Å; I1152-T1162 VanDerWaalsContact O-CA 3.31Å; I1152-T1162 WeakPolarHBondContact O-CA 3.25Å; I1152-R1163 PolarHBondContact N-O 3.13Å; I1152-R1163 PolarHBondContact O-N 2.69Å; I1152-L1165 HydrophobicContact CD1-CD1 3.76Å; I1152-L1165 HydrophobicContact CG1-CD1 3.46Å; I1152-L1165 VanDerWaalsContact CG1-CD1 3.46Å; I1152-I1168 HydrophobicContact CD1-CD1 3.94Å; I1152-I1168 HydrophobicContact CD1-CG1 4.03Å; I1152-I1168 HydrophobicContact CD1-CG2 4.39Å |
| 1153 | T | 85.7 | Confident | 80.8 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.8 | 174.3 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | V1143 V1144 M1160 K1161 T1162 L1196 | V1143-T1153 CarbonylContact C-O 3.54Å; V1144-T1153 PolarHBondContact N-O 2.79Å; V1144-T1153 PolarHBondContact O-N 3.44Å; T1153-M1160 HydrophobicContact CG2-CG 3.39Å; T1153-M1160 HydrophobicContact CG2-SD 3.67Å; T1153-K1161 CarbonylContact C-O 3.36Å; T1153-K1161 WeakPolarHBondContact CA-O 3.48Å; T1153-T1162 WeakPolarHBondContact OG1-CG2 3.38Å; T1153-T1162 PolarHBondContact OG1-OG1 3.45Å; T1153-L1196 HydrophobicContact CG2-CD2 3.96Å |
| 1154 | T | 88.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 150.7 | 174 | 57.8 | 0 | 0 | 0 | 0 | 109.3 | L1116 E1135 Y1136 G1142 V1143 I1152 M1160 K1161 | L1116-T1154 HydrophobicContact CD1-CG2 4.14Å; L1116-T1154 HydrophobicContact CD2-CG2 4.13Å; E1135-T1154 WeakPolarHBondContact OE2-CB 3.38Å; E1135-T1154 WeakPolarHBondContact OE2-CG2 3.34Å; E1135-T1154 PolarHBondContact OE2-OG1 3.36Å; Y1136-T1154 VanDerWaalsContact OH-C 3.28Å; Y1136-T1154 PolarHBondContact OH-O 3.07Å; Y1136-T1154 PolarHBondContact OH-OG1 3.23Å; G1142-T1154 WeakPolarHBondContact O-CA 3.21Å; V1143-T1154 HydrophobicContact CG1-CG2 4.24Å; V1143-T1154 HydrophobicContact CG2-CG2 4.18Å; I1152-T1154 HydrophobicContact CG2-CG2 4.28Å; T1154-M1160 CarbonylContact O-C 3.49Å; T1154-M1160 VanDerWaalsContact O-CA 3.26Å; T1154-M1160 WeakPolarHBondContact O-CA 3.48Å; T1154-M1160 WeakPolarHBondContact O-CG 3.4Å; T1154-K1161 PolarHBondContact N-O 3.31Å; T1154-K1161 PolarHBondContact O-N 2.98Å; T1154-K1161 PolarHBondContact OG1-O 2.64Å |
| 1155 | A | 85 | Confident | 79.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1136 L1140 A1141 G1142 S1159 M1160 I1184 L1187 | Y1136-A1155 VanDerWaalsContact OH-CA 3.29Å; Y1136-A1155 WeakPolarHBondContact OH-CA 3.48Å; Y1136-A1155 PolarHBondContact OH-N 3.05Å; L1140-A1155 WeakPolarHBondContact CD1-O 3.31Å; A1141-A1155 WeakPolarHBondContact CA-O 3.09Å; A1141-A1155 WeakPolarHBondContact CB-O 3.46Å; A1141-A1155 PolarHBondContact N-O 2.82Å; G1142-A1155 PolarHBondContact N-O 2.84Å; G1142-A1155 PolarHBondContact O-N 2.86Å; G1142-A1155 VanDerWaalsContact O-N 3.07Å; A1155-S1159 WeakPolarHBondContact CA-O 3.24Å; A1155-M1160 HydrophobicContact CB-CB 3.97Å; A1155-M1160 HydrophobicContact CB-CG 3.99Å; A1155-I1184 HydrophobicContact CB-CD1 4.07Å; A1155-I1184 HydrophobicContact CB-CG2 4.12Å; A1155-L1187 HydrophobicContact CB-CD1 3.58Å; A1155-L1187 HydrophobicContact CB-CD2 3.46Å; A1155-L1187 VanDerWaalsContact CB-CD2 3.46Å; A1155-L1187 HydrophobicContact CB-CG 4.08Å |
| 1156 | G | 82.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | 162.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y1136 Y1139 N1158 S1159 | Y1136-G1156 WeakPolarHBondContact CD1-O 3.05Å; Y1136-G1156 VanDerWaalsContact CE1-C 3.42Å; Y1136-G1156 WeakPolarHBondContact CE1-O 3.33Å; Y1139-G1156 WeakPolarHBondContact O-CA 3.35Å; G1156-N1158 PolarHBondContact O-N 2.82Å; G1156-S1159 PolarHBondContact N-O 3.12Å; G1156-S1159 CarbonylContact O-C 3.5Å; G1156-S1159 PolarHBondContact O-N 3.23Å; G1156-S1159 PolarHBondContact O-OG 2.75Å; G1156-S1159 VanDerWaalsContact O-OG 3.11Å |
| 1157 | D | 83.3 | Confident | 78.7 | Confident | 42 Ų | 42 | 37.7 Ų | 37.7 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 42.5 | 178 | -58.2 | -11.8 | 0 | 0 | 0 | 115.3 | Y1136 Q1137 K1138 Y1139 S1159 | Y1136-D1157 HydrophobicContact CD1-CB 3.98Å; Q1137-D1157 PolarHBondContact N-OD2 2.87Å; K1138-D1157 WeakPolarHBondContact CA-OD1 3.39Å; K1138-D1157 WeakPolarHBondContact CB-OD1 3.08Å; K1138-D1157 PolarHBondContact N-OD1 2.89Å; K1138-D1157 PolarHBondContact N-OD2 3.45Å; Y1139-D1157 PolarHBondContact N-OD1 3.49Å; Y1139-D1157 PolarHBondContact O-N 3.25Å; D1157-S1159 PolarHBondContact O-N 3.33Å |
| 1158 | N | 76.9 | Confident | 78.5 | Confident | 44 Ų | 44 | 34.6 Ų | 34.6 | 24% | 0.235 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 27.2 | -177.8 | -55.3 | 21.3 | 0 | 0 | 0 | 113.4 | G1156 F1177 C1182 | G1156-N1158 PolarHBondContact O-N 2.82Å; N1158-F1177 HydrophobicContact CB-CB 4.45Å; N1158-F1177 WeakPolarHBondContact O-CD2 3.36Å; N1158-F1177 PolarHBondContact O-N 3.1Å; N1158-C1182 PolarHBondContact ND2-O 3.27Å; N1158-C1182 PolarHBondContact OD1-O 2.97Å |
| 1159 | S | 80.3 | Confident | 78.8 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149.5 | 174.4 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | Y1136 A1155 G1156 D1157 M1175 N1176 | Y1136-S1159 WeakPolarHBondContact CE1-O 3.26Å; Y1136-S1159 WeakPolarHBondContact CE1-OG 3.34Å; Y1136-S1159 PolarHBondContact OH-O 3.44Å; A1155-S1159 WeakPolarHBondContact CA-O 3.24Å; G1156-S1159 PolarHBondContact N-O 3.12Å; G1156-S1159 CarbonylContact O-C 3.5Å; G1156-S1159 PolarHBondContact O-N 3.23Å; G1156-S1159 PolarHBondContact O-OG 2.75Å; G1156-S1159 VanDerWaalsContact O-OG 3.11Å; D1157-S1159 PolarHBondContact O-N 3.33Å; S1159-M1175 CarbonylContact C-O 3.49Å; S1159-M1175 WeakPolarHBondContact CA-O 3.31Å; S1159-N1176 WeakPolarHBondContact CB-OD1 3.49Å |
| 1160 | M | 81.5 | Confident | 79.2 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.4 | 176 | -177 | 170.4 | 73.1 | 0 | 0 | 107.9 | T1153 T1154 A1155 V1174 M1175 F1177 L1187 L1196 V1198 Y1207 | T1153-M1160 HydrophobicContact CG2-CG 3.39Å; T1153-M1160 HydrophobicContact CG2-SD 3.67Å; T1154-M1160 CarbonylContact O-C 3.49Å; T1154-M1160 VanDerWaalsContact O-CA 3.26Å; T1154-M1160 WeakPolarHBondContact O-CA 3.48Å; T1154-M1160 WeakPolarHBondContact O-CG 3.4Å; A1155-M1160 HydrophobicContact CB-CB 3.97Å; A1155-M1160 HydrophobicContact CB-CG 3.99Å; M1160-V1174 CarbonylContact O-C 3.6Å; M1160-V1174 WeakPolarHBondContact O-CA 3.39Å; M1160-M1175 HydrophobicContact CB-CB 4.33Å; M1160-M1175 HydrophobicContact CE-CB 4.37Å; M1160-M1175 HydrophobicContact CE-SD 3.87Å; M1160-M1175 PolarHBondContact N-O 2.8Å; M1160-M1175 PolarHBondContact O-N 3.39Å; M1160-F1177 HydrophobicContact CB-CE2 4.37Å; M1160-L1187 HydrophobicContact CG-CD2 4.27Å; M1160-L1187 HydrophobicContact SD-CD2 3.69Å; M1160-L1196 HydrophobicContact CE-CD2 3.74Å; M1160-L1196 HydrophobicContact SD-CD2 3.54Å; M1160-L1196 VanDerWaalsContact SD-CD2 3.54Å; M1160-V1198 HydrophobicContact SD-CG2 3.83Å; M1160-Y1207 HydrophobicContact CE-CD2 4.23Å; M1160-Y1207 HydrophobicContact CE-CE2 4.23Å |
| 1161 | K | 84 | Confident | 79.4 | Confident | 47 Ų | 47 | 35.6 Ų | 35.6 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.1 | -177.1 | -64.1 | 175.8 | -177.9 | 173.2 | 0 | 108.4 | E1135 Y1136 T1153 T1154 D1173 V1174 | E1135-K1161 PolarHBondContact O-NZ 3.29Å; Y1136-K1161 HydrophobicContact CE1-CD 4.32Å; Y1136-K1161 PolarHBondContact OH-N 2.85Å; T1153-K1161 CarbonylContact C-O 3.36Å; T1153-K1161 WeakPolarHBondContact CA-O 3.48Å; T1154-K1161 PolarHBondContact N-O 3.31Å; T1154-K1161 PolarHBondContact O-N 2.98Å; T1154-K1161 PolarHBondContact OG1-O 2.64Å; K1161-D1173 CarbonylContact C-O 3.52Å; K1161-D1173 WeakPolarHBondContact CA-O 3.22Å; K1161-V1174 HydrophobicContact CG-CG1 4.26Å; K1161-V1174 HydrophobicContact CG-CG2 4.28Å |
| 1162 | T | 80.9 | Confident | 79.1 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.8 | 175.3 | -53.1 | 0 | 0 | 0 | 0 | 108.6 | T1151 I1152 T1153 V1171 V1172 D1173 | T1151-T1162 HydrophobicContact CG2-CG2 4.28Å; I1152-T1162 CarbonylContact O-C 3.52Å; I1152-T1162 VanDerWaalsContact O-CA 3.31Å; I1152-T1162 WeakPolarHBondContact O-CA 3.25Å; T1153-T1162 WeakPolarHBondContact OG1-CG2 3.38Å; T1153-T1162 PolarHBondContact OG1-OG1 3.45Å; T1162-V1171 CarbonylContact O-C 3.47Å; T1162-V1172 WeakPolarHBondContact O-CA 3.34Å; T1162-V1172 PolarHBondContact O-N 2.85Å; T1162-D1173 PolarHBondContact N-O 2.83Å; T1162-D1173 PolarHBondContact O-N 2.96Å; T1162-D1173 VanDerWaalsContact O-N 3.16Å |
| 1163 | R | 84.3 | Confident | 78.2 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 7% | 0.072 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 161.5 | 179.8 | -68.4 | 179.8 | 173.1 | -85.9 | 0.6 | 111 | E1135 T1151 I1152 I1168 S1169 E1170 V1171 | E1135-R1163 WeakPolarHBondContact OE1-CD 3.42Å; E1135-R1163 IonicContact OE1-CZ 2.75Å; E1135-R1163 IonicContact OE1-NE 2.83Å; E1135-R1163 PolarHBondContact OE1-NE 2.81Å; E1135-R1163 IonicContact OE1-NH2 2.69Å; E1135-R1163 PolarHBondContact OE1-NH2 2.84Å; T1151-R1163 CarbonylContact C-O 3.54Å; T1151-R1163 WeakPolarHBondContact CA-O 3.23Å; T1151-R1163 VanDerWaalsContact CB-O 3.3Å; T1151-R1163 WeakPolarHBondContact CB-O 3.24Å; I1152-R1163 PolarHBondContact N-O 3.13Å; I1152-R1163 PolarHBondContact O-N 2.69Å; R1163-I1168 VanDerWaalsContact CD-O 3.29Å; R1163-I1168 WeakPolarHBondContact CD-O 3.49Å; R1163-I1168 PolarHBondContact NH1-O 3.41Å; R1163-S1169 PolarHBondContact NH1-O 3.4Å; R1163-S1169 VanDerWaalsContact NH1-O 3.07Å; R1163-E1170 VanDerWaalsContact CA-O 3.22Å; R1163-E1170 WeakPolarHBondContact CA-O 3.46Å; R1163-E1170 WeakPolarHBondContact CB-O 3.42Å; R1163-E1170 WeakPolarHBondContact CG-O 3.44Å; R1163-V1171 HydrophobicContact CG-CG2 4.23Å |
| 1164 | E | 78 | Confident | 77.8 | Confident | 44 Ų | 44 | 45.1 Ų | 45.1 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.7 | 171.5 | -158.1 | 179.6 | -175 | 0 | 0 | 110.4 | N1167 I1168 E1170 V1172 | E1164-N1167 CarbonylContact O-C 3.57Å; E1164-N1167 PolarHBondContact O-N 3.35Å; E1164-I1168 VanDerWaalsContact O-CA 3.31Å; E1164-I1168 WeakPolarHBondContact O-CA 3.41Å; E1164-I1168 PolarHBondContact O-N 2.84Å; E1164-I1168 VanDerWaalsContact O-N 3.13Å; E1164-E1170 PolarHBondContact N-O 2.88Å; E1164-V1172 HydrophobicContact CB-CG2 4.24Å |
| 1165 | L | 75.7 | Confident | 76.9 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -66.4 | -40.2 | -179.6 | -166.8 | 77 | 0 | 0 | 0 | 111.1 | L1102 G1150 I1152 N1167 I1168 | L1102-L1165 HydrophobicContact CD1-CD1 3.62Å; L1102-L1165 HydrophobicContact CD1-CG 4.29Å; L1102-L1165 HydrophobicContact CD2-CD1 3.91Å; L1102-L1165 HydrophobicContact CD2-CD2 4.43Å; L1102-L1165 HydrophobicContact CG-CD1 4.45Å; G1150-L1165 VanDerWaalsContact C-CB 3.48Å; G1150-L1165 VanDerWaalsContact O-CB 3.31Å; G1150-L1165 WeakPolarHBondContact O-CB 3.43Å; G1150-L1165 PolarHBondContact O-N 2.86Å; I1152-L1165 HydrophobicContact CD1-CD1 3.76Å; I1152-L1165 HydrophobicContact CG1-CD1 3.46Å; I1152-L1165 VanDerWaalsContact CG1-CD1 3.46Å; L1165-N1167 VanDerWaalsContact C-N 3.3Å; L1165-N1167 PolarHBondContact O-N 3.37Å; L1165-I1168 WeakPolarHBondContact O-CG1 3.4Å |
| 1166 | N | 71.9 | Confident | 76.2 | Confident | 140 Ų | 140 | 52.8 Ų | 52.8 | 75% | 0.749 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28.6 | 179 | -67 | -27.3 | 0 | 0 | 0 | 112.7 | ||
| 1167 | N | 71.3 | Confident | 75.4 | Confident | 57 Ų | 57 | 54 Ų | 54 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 76.7 | -178.6 | -172.6 | 6.6 | 0 | 0 | 0 | 109.8 | E1164 L1165 S1169 E1170 | E1164-N1167 CarbonylContact O-C 3.57Å; E1164-N1167 PolarHBondContact O-N 3.35Å; L1165-N1167 VanDerWaalsContact C-N 3.3Å; L1165-N1167 PolarHBondContact O-N 3.37Å; N1167-S1169 PolarHBondContact O-N 3.48Å; N1167-S1169 WeakPolarHBondContact OD1-CB 3.2Å; N1167-S1169 PolarHBondContact OD1-N 3.46Å; N1167-S1169 PolarHBondContact OD1-OG 3.31Å; N1167-E1170 WeakPolarHBondContact ND2-CG 3.35Å; N1167-E1170 PolarHBondContact ND2-OE1 3.26Å; N1167-E1170 PolarHBondContact O-N 2.94Å |
| 1168 | I | 71 | Confident | 73.9 | Confident | 15 Ų | 15 | 61 Ų | 61 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -12.8 | -177.4 | -51.1 | 179.5 | 0 | 0 | 0 | 111.7 | L1116 L1118 F1131 I1152 R1163 E1164 L1165 E1170 | L1116-I1168 HydrophobicContact CD2-CG2 4.23Å; L1118-I1168 HydrophobicContact CB-CD1 4.22Å; L1118-I1168 HydrophobicContact CD1-CD1 3.73Å; L1118-I1168 HydrophobicContact CD2-CD1 3.78Å; L1118-I1168 HydrophobicContact CG-CD1 4.12Å; F1131-I1168 HydrophobicContact CD1-CB 4.08Å; F1131-I1168 HydrophobicContact CD1-CG2 3.78Å; F1131-I1168 HydrophobicContact CE1-CB 4.11Å; F1131-I1168 HydrophobicContact CE1-CG2 3.68Å; I1152-I1168 HydrophobicContact CD1-CD1 3.94Å; I1152-I1168 HydrophobicContact CD1-CG1 4.03Å; I1152-I1168 HydrophobicContact CD1-CG2 4.39Å; R1163-I1168 VanDerWaalsContact CD-O 3.29Å; R1163-I1168 WeakPolarHBondContact CD-O 3.49Å; R1163-I1168 PolarHBondContact NH1-O 3.41Å; E1164-I1168 VanDerWaalsContact O-CA 3.31Å; E1164-I1168 WeakPolarHBondContact O-CA 3.41Å; E1164-I1168 PolarHBondContact O-N 2.84Å; E1164-I1168 VanDerWaalsContact O-N 3.13Å; L1165-I1168 WeakPolarHBondContact O-CG1 3.4Å; I1168-E1170 VanDerWaalsContact C-N 3.33Å |
| 1169 | S | 72.6 | Confident | 72.9 | Confident | 68 Ų | 68 | 65 Ų | 65 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -28.9 | 172.4 | 78.1 | 0 | 0 | 0 | 0 | 113.7 | R1163 N1167 | R1163-S1169 PolarHBondContact NH1-O 3.4Å; R1163-S1169 VanDerWaalsContact NH1-O 3.07Å; N1167-S1169 PolarHBondContact O-N 3.48Å; N1167-S1169 WeakPolarHBondContact OD1-CB 3.2Å; N1167-S1169 PolarHBondContact OD1-N 3.46Å; N1167-S1169 PolarHBondContact OD1-OG 3.31Å |
| 1170 | E | 72.9 | Confident | 71.2 | Confident | 106 Ų | 106 | 69.7 Ų | 69.7 | 50% | 0.495 | 37% | 0.369 | S | S | . | . | trans | -90.8 | 131 | -175 | -75.4 | -172.7 | -162.9 | 0 | 0 | 112.9 | R1163 E1164 N1167 I1168 | R1163-E1170 VanDerWaalsContact CA-O 3.22Å; R1163-E1170 WeakPolarHBondContact CA-O 3.46Å; R1163-E1170 WeakPolarHBondContact CB-O 3.42Å; R1163-E1170 WeakPolarHBondContact CG-O 3.44Å; E1164-E1170 PolarHBondContact N-O 2.88Å; N1167-E1170 WeakPolarHBondContact ND2-CG 3.35Å; N1167-E1170 PolarHBondContact ND2-OE1 3.26Å; N1167-E1170 PolarHBondContact O-N 2.94Å; I1168-E1170 VanDerWaalsContact C-N 3.33Å | ||
| 1171 | V | 76.9 | Confident | 69.8 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 112.6 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | T1162 R1163 D1173 V1174 | T1162-V1171 CarbonylContact O-C 3.47Å; R1163-V1171 HydrophobicContact CG-CG2 4.23Å; V1171-D1173 WeakPolarHBondContact CG1-O 3.34Å; V1171-V1174 HydrophobicContact CG1-CG2 3.48Å; V1171-V1174 VanDerWaalsContact CG1-CG2 3.48Å |
| 1172 | V | 71 | Confident | 68.6 | Low | 85 Ų | 85 | 75.2 Ų | 75.2 | 52% | 0.515 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -44.5 | 179.2 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | T1162 E1164 | T1162-V1172 WeakPolarHBondContact O-CA 3.34Å; T1162-V1172 PolarHBondContact O-N 2.85Å; E1164-V1172 HydrophobicContact CB-CG2 4.24Å |
| 1173 | D | 67.6 | Low | 68 | Low | 72 Ų | 72 | 79.2 Ų | 79.2 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 151.4 | -176.8 | -160.7 | 16.9 | 0 | 0 | 0 | 112.6 | K1161 T1162 V1171 | K1161-D1173 CarbonylContact C-O 3.52Å; K1161-D1173 WeakPolarHBondContact CA-O 3.22Å; T1162-D1173 PolarHBondContact N-O 2.83Å; T1162-D1173 PolarHBondContact O-N 2.96Å; T1162-D1173 VanDerWaalsContact O-N 3.16Å; V1171-D1173 WeakPolarHBondContact CG1-O 3.34Å |
| 1174 | V | 77.4 | Confident | 67.5 | Low | 67 Ų | 67 | 78.3 Ų | 78.3 | 41% | 0.406 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 115.6 | 176.4 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | M1160 K1161 V1171 | M1160-V1174 CarbonylContact O-C 3.6Å; M1160-V1174 WeakPolarHBondContact O-CA 3.39Å; K1161-V1174 HydrophobicContact CG-CG1 4.26Å; K1161-V1174 HydrophobicContact CG-CG2 4.28Å; V1171-V1174 HydrophobicContact CG1-CG2 3.48Å; V1171-V1174 VanDerWaalsContact CG1-CG2 3.48Å |
| 1175 | M | 70.2 | Confident | 67.2 | Low | 50 Ų | 50 | 76.9 Ų | 76.9 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.3 | 176.2 | -173.3 | 173.8 | -75.3 | 0 | 0 | 109.5 | S1159 M1160 Y1207 | S1159-M1175 CarbonylContact C-O 3.49Å; S1159-M1175 WeakPolarHBondContact CA-O 3.31Å; M1160-M1175 HydrophobicContact CB-CB 4.33Å; M1160-M1175 HydrophobicContact CE-CB 4.37Å; M1160-M1175 HydrophobicContact CE-SD 3.87Å; M1160-M1175 PolarHBondContact N-O 2.8Å; M1160-M1175 PolarHBondContact O-N 3.39Å; M1175-Y1207 HydrophobicContact CE-CD1 3.85Å; M1175-Y1207 HydrophobicContact CE-CE1 3.56Å; M1175-Y1207 HydrophobicContact SD-CD1 3.99Å; M1175-Y1207 HydrophobicContact SD-CE1 3.22Å; M1175-Y1207 WeakPolarHBondContact SD-CE1 3.32Å; M1175-Y1207 HydrophobicContact SD-CE2 4.28Å; M1175-Y1207 PolarHBondContact SD-OH 3.32Å; M1175-Y1207 VanDerWaalsContact SD-OH 3.37Å |
| 1176 | N | 70.4 | Confident | 67.2 | Low | 110 Ų | 110 | 77 Ų | 77 | 59% | 0.588 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132.8 | 176.3 | -62.8 | -38.2 | 0 | 0 | 0 | 109.2 | S1159 E1178 | S1159-N1176 WeakPolarHBondContact CB-OD1 3.49Å; N1176-E1178 PolarHBondContact O-N 2.86Å |
| 1177 | F | 65.6 | Low | 67.7 | Low | 27 Ų | 27 | 71.3 Ų | 71.3 | 12% | 0.118 | 38% | 0.377 | C | S | . | . | trans | -82.6 | 110 | 172.8 | -66.1 | -85.1 | 0 | 0 | 0 | 108.5 | N1158 M1160 Y1179 I1184 V1198 V1200 L1205 Y1207 | N1158-F1177 HydrophobicContact CB-CB 4.45Å; N1158-F1177 WeakPolarHBondContact O-CD2 3.36Å; N1158-F1177 PolarHBondContact O-N 3.1Å; M1160-F1177 HydrophobicContact CB-CE2 4.37Å; F1177-Y1179 PolarHBondContact O-N 2.84Å; F1177-I1184 HydrophobicContact CD2-CD1 3.72Å; F1177-I1184 HydrophobicContact CD2-CG1 4.3Å; F1177-I1184 HydrophobicContact CE2-CD1 3.48Å; F1177-I1184 VanDerWaalsContact CE2-CD1 3.48Å; F1177-I1184 HydrophobicContact CE2-CG1 4.13Å; F1177-I1184 HydrophobicContact CZ-CD1 4.47Å; F1177-V1198 HydrophobicContact CZ-CG1 4.28Å; F1177-V1200 HydrophobicContact CE1-CG2 4.34Å; F1177-L1205 HydrophobicContact CD1-CD1 4.34Å; F1177-L1205 HydrophobicContact CE1-CD1 3.56Å; F1177-L1205 HydrophobicContact CZ-CD1 4.45Å; F1177-Y1207 WeakPolarHBondContact CE1-OH 3.28Å | ||
| 1178 | E | 51.3 | Low | 68.2 | Low | 189 Ų | 189 | 70.2 Ų | 70.2 | 88% | 0.883 | 37% | 0.371 | S | S | * | . | trans | -65.7 | -9.4 | -174.4 | -66.7 | -174.1 | 162.6 | 0 | 0 | 114 | N1176 S1180 | N1176-E1178 PolarHBondContact O-N 2.86Å; E1178-S1180 PolarHBondContact O-N 2.92Å | ||
| 1179 | Y | 55.2 | Low | 68.5 | Low | 127 Ų | 127 | 70.6 Ų | 70.6 | 50% | 0.498 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -87.6 | 113.3 | 179.2 | -61.9 | -76.8 | 0 | 0 | 0 | 111.8 | F857 F1177 E1181 C1182 | F857-Y1179 HydrophobicContact CE2-CE2 4.28Å; F857-Y1179 HydrophobicContact CZ-CD2 4.45Å; F857-Y1179 HydrophobicContact CZ-CE1 4.33Å; F857-Y1179 HydrophobicContact CZ-CE2 4.09Å; F1177-Y1179 PolarHBondContact O-N 2.84Å; Y1179-E1181 PolarHBondContact O-N 2.9Å; Y1179-C1182 PolarHBondContact O-N 3.04Å |
| 1180 | S | 44.9 | Very low | 68.5 | Low | 112 Ų | 112 | 67.5 Ų | 67.5 | 78% | 0.783 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 118.7 | 166.6 | 55.6 | 0 | 0 | 0 | 0 | 109.6 | E1178 | E1178-S1180 PolarHBondContact O-N 2.92Š|
| 1181 | E | 53.4 | Low | 68.2 | Low | 149 Ų | 149 | 66.7 Ų | 66.7 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 27.7 | -179.5 | -48.5 | -171.7 | 173.6 | 0 | 0 | 118.6 | Y1179 | Y1179-E1181 PolarHBondContact O-N 2.9Š|
| 1182 | C | 59.2 | Low | 67.6 | Low | 23 Ų | 23 | 69.2 Ų | 69.2 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | trans | -83 | 111.2 | 164.5 | -84.6 | 0 | 0 | 0 | 0 | 112 | N1158 Y1179 V1200 | N1158-C1182 PolarHBondContact ND2-O 3.27Å; N1158-C1182 PolarHBondContact OD1-O 2.97Å; Y1179-C1182 PolarHBondContact O-N 3.04Å; C1182-V1200 HydrophobicContact CB-CG1 3.66Å | ||
| 1183 | Y | 68.3 | Low | 67.1 | Low | 107 Ų | 107 | 65.4 Ų | 65.4 | 42% | 0.42 | 34% | 0.336 | S | S | . | . | trans | -79.3 | 127.9 | 170.9 | -160.1 | -100.5 | 0 | 0 | 0 | 110.4 | P901 Y1139 V1200 D1201 | P901-Y1183 HydrophobicContact CG-CD1 4.47Å; Y1139-Y1183 HydrophobicContact CD1-CE2 4.29Å; Y1139-Y1183 HydrophobicContact CD2-CE2 4.12Å; Y1139-Y1183 HydrophobicContact CE1-CD2 4.16Å; Y1139-Y1183 AromaticContact CE1-CE2 3.89Å; Y1139-Y1183 HydrophobicContact CE1-CE2 3.89Å; Y1139-Y1183 HydrophobicContact CE2-CD2 4.18Å; Y1139-Y1183 HydrophobicContact CE2-CE1 4.23Å; Y1139-Y1183 AromaticContact CE2-CE2 3.68Å; Y1139-Y1183 HydrophobicContact CE2-CE2 3.68Å; Y1139-Y1183 AromaticContact CE2-CZ 3.71Å; Y1139-Y1183 HydrophobicContact CG-CE2 4.41Å; Y1139-Y1183 AromaticContact CZ-CD2 3.73Å; Y1139-Y1183 AromaticContact CZ-CE2 3.57Å; Y1183-V1200 WeakPolarHBondContact O-CA 3.49Å; Y1183-D1201 WeakPolarHBondContact CB-OD2 3.35Å; Y1183-D1201 PolarHBondContact N-OD2 2.74Å; Y1183-D1201 PolarHBondContact O-N 2.66Å; Y1183-D1201 VanDerWaalsContact O-N 3.11Å | ||
| 1184 | I | 73.7 | Confident | 66.8 | Low | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 131.1 | 175.6 | -55.4 | 173.8 | 0 | 0 | 0 | 107.8 | Y1139 A1141 A1155 F1177 L1187 V1198 | Y1139-I1184 PolarHBondContact OH-N 3.3Å; A1141-I1184 HydrophobicContact CB-CB 3.85Å; A1141-I1184 HydrophobicContact CB-CG2 3.7Å; A1141-I1184 WeakPolarHBondContact CB-O 3.17Å; A1155-I1184 HydrophobicContact CB-CD1 4.07Å; A1155-I1184 HydrophobicContact CB-CG2 4.12Å; F1177-I1184 HydrophobicContact CD2-CD1 3.72Å; F1177-I1184 HydrophobicContact CD2-CG1 4.3Å; F1177-I1184 HydrophobicContact CE2-CD1 3.48Å; F1177-I1184 VanDerWaalsContact CE2-CD1 3.48Å; F1177-I1184 HydrophobicContact CE2-CG1 4.13Å; F1177-I1184 HydrophobicContact CZ-CD1 4.47Å; I1184-L1187 HydrophobicContact CG2-CD1 4.17Å; I1184-V1198 HydrophobicContact CG2-CG1 3.86Å |
| 1185 | G | 71.4 | Confident | 66.1 | Low | 13 Ų | 13 | 62.6 Ų | 62.6 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -99.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1199 | G1185-S1199 VanDerWaalsContact CA-OG 3.25Å; G1185-S1199 WeakPolarHBondContact CA-OG 3.37Å; G1185-S1199 PolarHBondContact N-O 3.04Å |
| 1186 | S | 74.3 | Confident | 66.1 | Low | 36 Ų | 36 | 60.4 Ų | 60.4 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 150.6 | 176 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | C902 S1199 | C902-S1186 PolarHBondContact O-OG 3.2Å; S1186-S1199 PolarHBondContact N-OG 3.19Å; S1186-S1199 PolarHBondContact O-N 3.31Å; S1186-S1199 PolarHBondContact O-OG 3.05Å; S1186-S1199 PolarHBondContact OG-OG 3.47Å |
| 1187 | L | 82.9 | Confident | 66.1 | Low | 19 Ų | 19 | 55.1 Ų | 55.1 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.7 | 170 | -67.4 | 98.7 | 0 | 0 | 0 | 108.7 | A1141 V1144 A1155 M1160 I1184 A1197 V1198 | A1141-L1187 HydrophobicContact CB-CD1 4.22Å; V1144-L1187 HydrophobicContact CG2-CB 3.57Å; V1144-L1187 WeakPolarHBondContact CG2-O 3.21Å; A1155-L1187 HydrophobicContact CB-CD1 3.58Å; A1155-L1187 HydrophobicContact CB-CD2 3.46Å; A1155-L1187 VanDerWaalsContact CB-CD2 3.46Å; A1155-L1187 HydrophobicContact CB-CG 4.08Å; M1160-L1187 HydrophobicContact CG-CD2 4.27Å; M1160-L1187 HydrophobicContact SD-CD2 3.69Å; I1184-L1187 HydrophobicContact CG2-CD1 4.17Å; L1187-A1197 WeakPolarHBondContact CA-O 3.45Å; L1187-V1198 HydrophobicContact CD2-CG1 4.5Å; L1187-V1198 HydrophobicContact CD2-CG2 3.96Å; L1187-V1198 HydrophobicContact CG-CG1 4.43Å; L1187-V1198 HydrophobicContact CG-CG2 4.35Å |
| 1188 | E | 81.2 | Confident | 66.4 | Low | 35 Ų | 35 | 53.9 Ų | 53.9 | 16% | 0.164 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 134.4 | -178.9 | -162.6 | -168.1 | -167.4 | 0 | 0 | 111.8 | V904 Q905 W906 L1196 A1197 | V904-E1188 VanDerWaalsContact C-OE2 3.24Å; V904-E1188 VanDerWaalsContact O-OE2 3.13Å; Q905-E1188 WeakPolarHBondContact CA-OE1 3.41Å; Q905-E1188 WeakPolarHBondContact CA-OE2 3.44Å; Q905-E1188 WeakPolarHBondContact CG-OE1 3.24Å; Q905-E1188 PolarHBondContact N-OE2 3.37Å; W906-E1188 PolarHBondContact N-OE1 3.26Å; W906-E1188 PolarHBondContact N-OE2 2.85Å; W906-E1188 PolarHBondContact NE1-O 3.41Å; E1188-L1196 CarbonylContact O-C 3.46Å; E1188-L1196 WeakPolarHBondContact O-CA 3.42Å; E1188-A1197 PolarHBondContact N-O 2.6Å; E1188-A1197 PolarHBondContact O-N 3.03Å |
| 1189 | L | 77.7 | Confident | 67.5 | Low | 23 Ų | 23 | 44.9 Ų | 44.9 | 12% | 0.12 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137 | -179.2 | -174.2 | 78.2 | 0 | 0 | 0 | 108.8 | V1144 N1146 L1196 I1209 | V1144-L1189 HydrophobicContact CB-CB 4.43Å; V1144-L1189 HydrophobicContact CG1-CB 3.27Å; V1144-L1189 HydrophobicContact CG1-CD2 4.24Å; V1144-L1189 HydrophobicContact CG1-CG 4.36Å; N1146-L1189 HydrophobicContact CB-CD2 3.52Å; L1189-L1196 HydrophobicContact CB-CD1 4.33Å; L1189-L1196 HydrophobicContact CD1-CB 4.06Å; L1189-L1196 HydrophobicContact CD1-CD1 4.25Å; L1189-I1209 HydrophobicContact CD1-CD1 3.41Å; L1189-I1209 VanDerWaalsContact CD1-CD1 3.41Å; L1189-I1209 HydrophobicContact CD1-CG1 4.48Å |
| 1190 | C | 73.3 | Confident | 68.1 | Low | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.02 | 21% | 0.208 | C | C | . | . | trans | -61.3 | 144.4 | 167.8 | 164.5 | 0 | 0 | 0 | 0 | 110.4 | W906 G910 E1192 G1193 L1195 | W906-C1190 HydrophobicContact CD2-CB 4.25Å; W906-C1190 HydrophobicContact CG-CB 4.3Å; G910-C1190 WeakPolarHBondContact CA-SG 3.16Å; C1190-E1192 VanDerWaalsContact C-N 3.26Å; C1190-E1192 PolarHBondContact O-N 3.35Å; C1190-E1192 VanDerWaalsContact O-N 3.16Å; C1190-G1193 WeakPolarHBondContact O-CA 3.43Å; C1190-G1193 PolarHBondContact O-N 3.13Å; C1190-L1195 HydrophobicContact CB-CB 3.93Å; C1190-L1195 WeakPolarHBondContact CB-O 3.05Å; C1190-L1195 PolarHBondContact N-O 3.2Å | ||
| 1191 | D | 67.2 | Low | 68.9 | Low | 89 Ų | 89 | 35.1 Ų | 35.1 | 48% | 0.476 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -36.6 | -177 | -63.6 | -9.3 | 0 | 0 | 0 | 113.9 | P908 G1193 | P908-D1191 WeakPolarHBondContact CA-OD2 3.14Å; P908-D1191 VanDerWaalsContact CB-OD2 3.3Å; P908-D1191 WeakPolarHBondContact CB-OD2 3.04Å; D1191-G1193 PolarHBondContact O-N 2.94Å; D1191-G1193 VanDerWaalsContact O-N 3.14Å |
| 1192 | E | 62.7 | Low | 69.1 | Low | 116 Ų | 116 | 33.5 Ų | 33.5 | 54% | 0.542 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -1.7 | 173.8 | -64.5 | -88.1 | 162.3 | 0 | 0 | 114.3 | C1190 Q1194 | C1190-E1192 VanDerWaalsContact C-N 3.26Å; C1190-E1192 PolarHBondContact O-N 3.35Å; C1190-E1192 VanDerWaalsContact O-N 3.16Å; E1192-Q1194 WeakPolarHBondContact O-CG 3.24Å; E1192-Q1194 PolarHBondContact O-N 3.19Å |
| 1193 | G | 61.6 | Low | 69.1 | Low | 6 Ų | 6 | 33 Ų | 33 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 68.2 | 4.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1146 C1190 D1191 | N1146-G1193 WeakPolarHBondContact ND2-CA 3.49Å; N1146-G1193 PolarHBondContact ND2-O 3.13Å; C1190-G1193 WeakPolarHBondContact O-CA 3.43Å; C1190-G1193 PolarHBondContact O-N 3.13Å; D1191-G1193 PolarHBondContact O-N 2.94Å; D1191-G1193 VanDerWaalsContact O-N 3.14Å |
| 1194 | Q | 60.9 | Low | 68.7 | Low | 62 Ų | 62 | 28.7 Ų | 28.7 | 29% | 0.29 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -92.3 | -24.3 | -173.3 | -67.9 | -179.9 | 15.6 | 0 | 0 | 114.7 | E1192 A1208 I1209 Q1446 | E1192-Q1194 WeakPolarHBondContact O-CG 3.24Å; E1192-Q1194 PolarHBondContact O-N 3.19Å; Q1194-A1208 CarbonylContact O-C 2.85Å; Q1194-A1208 WeakPolarHBondContact O-CA 3.18Å; Q1194-I1209 PolarHBondContact O-N 3.29Å; Q1194-Q1446 PolarHBondContact OE1-O 3.43Å; Q1194-Q1446 VanDerWaalsContact OE1-O 3.09Å |
| 1195 | L | 63.4 | Low | 68.2 | Low | 17 Ų | 17 | 29 Ų | 29 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.5 | -175.3 | -61.9 | 173.3 | 0 | 0 | 0 | 110.4 | W906 C1190 V1206 Y1207 A1208 | W906-L1195 HydrophobicContact CH2-CB 4.26Å; W906-L1195 HydrophobicContact CH2-CD1 3.91Å; W906-L1195 HydrophobicContact CZ2-CB 4Å; W906-L1195 HydrophobicContact CZ2-CD1 4.49Å; W906-L1195 HydrophobicContact CZ3-CD1 4.31Å; C1190-L1195 HydrophobicContact CB-CB 3.93Å; C1190-L1195 WeakPolarHBondContact CB-O 3.05Å; C1190-L1195 PolarHBondContact N-O 3.2Å; L1195-V1206 HydrophobicContact CB-CG1 4.32Å; L1195-V1206 HydrophobicContact CD2-CG1 4.19Å; L1195-Y1207 CarbonylContact C-O 3.46Å; L1195-Y1207 VanDerWaalsContact CA-O 3.31Å; L1195-Y1207 WeakPolarHBondContact CA-O 3.3Å; L1195-A1208 HydrophobicContact CD2-CB 4.23Å |
| 1196 | L | 69.3 | Low | 67.6 | Low | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.6 | 176.7 | 174.9 | 73.6 | 0 | 0 | 0 | 109.3 | V1144 T1153 M1160 E1188 L1189 V1198 V1206 Y1207 I1209 | V1144-L1196 HydrophobicContact CG2-CD1 4.4Å; T1153-L1196 HydrophobicContact CG2-CD2 3.96Å; M1160-L1196 HydrophobicContact CE-CD2 3.74Å; M1160-L1196 HydrophobicContact SD-CD2 3.54Å; M1160-L1196 VanDerWaalsContact SD-CD2 3.54Å; E1188-L1196 CarbonylContact O-C 3.46Å; E1188-L1196 WeakPolarHBondContact O-CA 3.42Å; L1189-L1196 HydrophobicContact CB-CD1 4.33Å; L1189-L1196 HydrophobicContact CD1-CB 4.06Å; L1189-L1196 HydrophobicContact CD1-CD1 4.25Å; L1196-V1198 HydrophobicContact CD2-CG2 4.24Å; L1196-V1198 HydrophobicContact CG-CG2 4.12Å; L1196-V1206 CarbonylContact O-C 3.57Å; L1196-V1206 WeakPolarHBondContact O-CA 3.14Å; L1196-Y1207 PolarHBondContact N-O 3.01Å; L1196-Y1207 PolarHBondContact O-N 3.28Å; L1196-I1209 HydrophobicContact CB-CD1 4.14Å; L1196-I1209 HydrophobicContact CB-CG1 4.29Å |
| 1197 | A | 71.1 | Confident | 66.8 | Low | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V904 W906 L913 L1187 E1188 V1204 L1205 V1206 | V904-A1197 HydrophobicContact CG1-CB 3.69Å; W906-A1197 HydrophobicContact CZ2-CB 4.12Å; W906-A1197 VanDerWaalsContact NE1-CB 3.28Å; L913-A1197 HydrophobicContact CD1-CB 4.31Å; L913-A1197 HydrophobicContact CD2-CB 4.34Å; L1187-A1197 WeakPolarHBondContact CA-O 3.45Å; E1188-A1197 PolarHBondContact N-O 2.6Å; E1188-A1197 PolarHBondContact O-N 3.03Å; A1197-V1204 HydrophobicContact CB-CG1 4.37Å; A1197-L1205 CarbonylContact C-O 3.57Å; A1197-L1205 VanDerWaalsContact CA-O 3.27Å; A1197-L1205 WeakPolarHBondContact CA-O 3.4Å; A1197-V1206 HydrophobicContact CB-CG2 4.33Å |
| 1198 | V | 72.6 | Confident | 65.1 | Low | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 116.8 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | M1160 F1177 I1184 L1187 L1196 V1200 V1204 L1205 Y1207 | M1160-V1198 HydrophobicContact SD-CG2 3.83Å; F1177-V1198 HydrophobicContact CZ-CG1 4.28Å; I1184-V1198 HydrophobicContact CG2-CG1 3.86Å; L1187-V1198 HydrophobicContact CD2-CG1 4.5Å; L1187-V1198 HydrophobicContact CD2-CG2 3.96Å; L1187-V1198 HydrophobicContact CG-CG1 4.43Å; L1187-V1198 HydrophobicContact CG-CG2 4.35Å; L1196-V1198 HydrophobicContact CD2-CG2 4.24Å; L1196-V1198 HydrophobicContact CG-CG2 4.12Å; V1198-V1200 HydrophobicContact CG1-CG2 4.23Å; V1198-V1204 WeakPolarHBondContact O-CA 3.35Å; V1198-L1205 HydrophobicContact CB-CB 4.48Å; V1198-L1205 PolarHBondContact N-O 3.22Å; V1198-L1205 PolarHBondContact O-N 3.37Å; V1198-Y1207 HydrophobicContact CB-CD2 4.49Å; V1198-Y1207 HydrophobicContact CB-CE2 4.09Å; V1198-Y1207 HydrophobicContact CG2-CD2 3.81Å; V1198-Y1207 HydrophobicContact CG2-CE2 3.73Å |
| 1199 | S | 72.5 | Confident | 63.4 | Low | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 131.4 | 172.2 | 77.1 | 0 | 0 | 0 | 0 | 109.8 | C902 G1185 S1186 | C902-S1199 WeakPolarHBondContact O-CB 3.28Å; G1185-S1199 VanDerWaalsContact CA-OG 3.25Å; G1185-S1199 WeakPolarHBondContact CA-OG 3.37Å; G1185-S1199 PolarHBondContact N-O 3.04Å; S1186-S1199 PolarHBondContact N-OG 3.19Å; S1186-S1199 PolarHBondContact O-N 3.31Å; S1186-S1199 PolarHBondContact O-OG 3.05Å; S1186-S1199 PolarHBondContact OG-OG 3.47Å |
| 1200 | V | 68.3 | Low | 61.5 | Low | 8 Ų | 8 | 35.4 Ų | 35.4 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 162.1 | 174.6 | -172.3 | 0 | 0 | 0 | 0 | 107.6 | F1177 C1182 Y1183 V1198 N1202 A1203 L1205 | F1177-V1200 HydrophobicContact CE1-CG2 4.34Å; C1182-V1200 HydrophobicContact CB-CG1 3.66Å; Y1183-V1200 WeakPolarHBondContact O-CA 3.49Å; V1198-V1200 HydrophobicContact CG1-CG2 4.23Å; V1200-N1202 PolarHBondContact O-N 2.94Å; V1200-A1203 HydrophobicContact CB-CB 4.48Å; V1200-A1203 PolarHBondContact N-O 2.86Å; V1200-A1203 PolarHBondContact O-N 3.07Å; V1200-L1205 HydrophobicContact CG2-CD1 3.65Å; V1200-L1205 HydrophobicContact CG2-CG 4.15Å |
| 1201 | D | 63 | Low | 59.9 | Low | 27 Ų | 27 | 38.8 Ų | 38.8 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43 | 110.5 | 173.9 | -84.4 | -23.1 | 0 | 0 | 0 | 112.1 | R899 Y1183 A1203 | R899-D1201 IonicContact NH1-OD2 3.84Å; Y1183-D1201 WeakPolarHBondContact CB-OD2 3.35Å; Y1183-D1201 PolarHBondContact N-OD2 2.74Å; Y1183-D1201 PolarHBondContact O-N 2.66Å; Y1183-D1201 VanDerWaalsContact O-N 3.11Å; D1201-A1203 VanDerWaalsContact C-N 3.29Å; D1201-A1203 PolarHBondContact O-N 3.17Å |
| 1202 | N | 56.3 | Low | 58.8 | Low | 114 Ų | 114 | 40.1 Ų | 40.1 | 61% | 0.61 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 14.9 | -177.2 | -49.3 | -36.1 | 0 | 0 | 0 | 117.1 | C858 V1200 | C858-N1202 HydrophobicContact CB-CB 3.99Å; C858-N1202 WeakPolarHBondContact CB-O 3.4Å; V1200-N1202 PolarHBondContact O-N 2.94Å |
| 1203 | A | 58.6 | Low | 58.2 | Low | 12 Ų | 12 | 39 Ų | 39 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | T856 V1200 D1201 | T856-A1203 WeakPolarHBondContact O-CB 3.42Å; T856-A1203 WeakPolarHBondContact OG1-CB 3.43Å; V1200-A1203 HydrophobicContact CB-CB 4.48Å; V1200-A1203 PolarHBondContact N-O 2.86Å; V1200-A1203 PolarHBondContact O-N 3.07Å; D1201-A1203 VanDerWaalsContact C-N 3.29Å; D1201-A1203 PolarHBondContact O-N 3.17Å |
| 1204 | V | 60.1 | Low | 57.7 | Low | 17 Ų | 17 | 47.5 Ų | 47.5 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 119.8 | 169.4 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | T856 C902 V904 L913 L915 A1197 V1198 | T856-V1204 WeakPolarHBondContact CG2-O 3.43Å; T856-V1204 VanDerWaalsContact OG1-C 3.26Å; T856-V1204 PolarHBondContact OG1-N 2.78Å; T856-V1204 PolarHBondContact OG1-O 3.13Å; C902-V1204 HydrophobicContact CB-CG2 4.41Å; V904-V1204 HydrophobicContact CG1-CG1 4.2Å; V904-V1204 HydrophobicContact CG2-CB 4.5Å; V904-V1204 HydrophobicContact CG2-CG1 3.88Å; V904-V1204 HydrophobicContact CG2-CG2 3.75Å; L913-V1204 HydrophobicContact CD2-CG1 4.37Å; L915-V1204 HydrophobicContact CD2-CB 4.23Å; L915-V1204 HydrophobicContact CD2-CG1 3.99Å; L915-V1204 HydrophobicContact CD2-CG2 3.95Å; A1197-V1204 HydrophobicContact CB-CG1 4.37Å; V1198-V1204 WeakPolarHBondContact O-CA 3.35Å |
| 1205 | L | 63.5 | Low | 57.8 | Low | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.1 | -177.6 | -57.8 | 175 | 0 | 0 | 0 | 108.7 | L855 F1177 A1197 V1198 V1200 Y1207 | L855-L1205 HydrophobicContact CD2-CD2 3.97Å; F1177-L1205 HydrophobicContact CD1-CD1 4.34Å; F1177-L1205 HydrophobicContact CE1-CD1 3.56Å; F1177-L1205 HydrophobicContact CZ-CD1 4.45Å; A1197-L1205 CarbonylContact C-O 3.57Å; A1197-L1205 VanDerWaalsContact CA-O 3.27Å; A1197-L1205 WeakPolarHBondContact CA-O 3.4Å; V1198-L1205 HydrophobicContact CB-CB 4.48Å; V1198-L1205 PolarHBondContact N-O 3.22Å; V1198-L1205 PolarHBondContact O-N 3.37Å; V1200-L1205 HydrophobicContact CG2-CD1 3.65Å; V1200-L1205 HydrophobicContact CG2-CG 4.15Å; L1205-Y1207 HydrophobicContact CB-CD2 4.41Å; L1205-Y1207 HydrophobicContact CB-CE2 3.73Å; L1205-Y1207 HydrophobicContact CD1-CE2 4.34Å; L1205-Y1207 WeakPolarHBondContact CD1-OH 3.36Å |
| 1206 | V | 59.4 | Low | 57.7 | Low | 22 Ų | 22 | 51 Ų | 51 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 112 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | W906 L913 L1195 L1196 A1197 | W906-V1206 HydrophobicContact CH2-CG1 4.01Å; W906-V1206 HydrophobicContact CH2-CG2 4.42Å; W906-V1206 HydrophobicContact CZ2-CG1 3.73Å; W906-V1206 HydrophobicContact CZ2-CG2 4.03Å; L913-V1206 HydrophobicContact CD2-CG2 3.99Å; L1195-V1206 HydrophobicContact CB-CG1 4.32Å; L1195-V1206 HydrophobicContact CD2-CG1 4.19Å; L1196-V1206 CarbonylContact O-C 3.57Å; L1196-V1206 WeakPolarHBondContact O-CA 3.14Å; A1197-V1206 HydrophobicContact CB-CG2 4.33Å |
| 1207 | Y | 57.9 | Low | 57.9 | Low | 30 Ų | 30 | 52.9 Ų | 52.9 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.9 | 178.2 | -65.9 | -80.3 | 0 | 0 | 0 | 110.5 | M1160 M1175 F1177 L1195 L1196 V1198 L1205 | M1160-Y1207 HydrophobicContact CE-CD2 4.23Å; M1160-Y1207 HydrophobicContact CE-CE2 4.23Å; M1175-Y1207 HydrophobicContact CE-CD1 3.85Å; M1175-Y1207 HydrophobicContact CE-CE1 3.56Å; M1175-Y1207 HydrophobicContact SD-CD1 3.99Å; M1175-Y1207 HydrophobicContact SD-CE1 3.22Å; M1175-Y1207 WeakPolarHBondContact SD-CE1 3.32Å; M1175-Y1207 HydrophobicContact SD-CE2 4.28Å; M1175-Y1207 PolarHBondContact SD-OH 3.32Å; M1175-Y1207 VanDerWaalsContact SD-OH 3.37Å; F1177-Y1207 WeakPolarHBondContact CE1-OH 3.28Å; L1195-Y1207 CarbonylContact C-O 3.46Å; L1195-Y1207 VanDerWaalsContact CA-O 3.31Å; L1195-Y1207 WeakPolarHBondContact CA-O 3.3Å; L1196-Y1207 PolarHBondContact N-O 3.01Å; L1196-Y1207 PolarHBondContact O-N 3.28Å; V1198-Y1207 HydrophobicContact CB-CD2 4.49Å; V1198-Y1207 HydrophobicContact CB-CE2 4.09Å; V1198-Y1207 HydrophobicContact CG2-CD2 3.81Å; V1198-Y1207 HydrophobicContact CG2-CE2 3.73Å; L1205-Y1207 HydrophobicContact CB-CD2 4.41Å; L1205-Y1207 HydrophobicContact CB-CE2 3.73Å; L1205-Y1207 HydrophobicContact CD1-CE2 4.34Å; L1205-Y1207 WeakPolarHBondContact CD1-OH 3.36Å |
| 1208 | A | 45.7 | Very low | 57.7 | Low | 39 Ų | 39 | 60.9 Ų | 60.9 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q1194 L1195 L1210 | Q1194-A1208 CarbonylContact O-C 2.85Å; Q1194-A1208 WeakPolarHBondContact O-CA 3.18Å; L1195-A1208 HydrophobicContact CD2-CB 4.23Å; A1208-L1210 VanDerWaalsContact C-N 3.28Å; A1208-L1210 HydrophobicContact CB-CD1 4.42Å; A1208-L1210 HydrophobicContact CB-CG 4.33Å; A1208-L1210 PolarHBondContact O-N 3.13Å |
| 1209 | I | 46.7 | Very low | 57.6 | Low | 61 Ų | 61 | 63.2 Ų | 63.2 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | trans | -80.7 | 80.9 | 172.2 | -51.6 | -173.5 | 0 | 0 | 0 | 107.5 | L1189 Q1194 L1196 | L1189-I1209 HydrophobicContact CD1-CD1 3.41Å; L1189-I1209 VanDerWaalsContact CD1-CD1 3.41Å; L1189-I1209 HydrophobicContact CD1-CG1 4.48Å; Q1194-I1209 PolarHBondContact O-N 3.29Å; L1196-I1209 HydrophobicContact CB-CD1 4.14Å; L1196-I1209 HydrophobicContact CB-CG1 4.29Å | ||
| 1210 | L | 37.1 | Very low | 57.8 | Low | 107 Ų | 107 | 66.8 Ų | 66.8 | 56% | 0.56 | 38% | 0.377 | S | S | * | . | trans | -93.6 | 136.6 | 169.6 | -69.6 | 166.3 | 0 | 0 | 0 | 108.6 | A1208 T1212 | A1208-L1210 VanDerWaalsContact C-N 3.28Å; A1208-L1210 HydrophobicContact CB-CD1 4.42Å; A1208-L1210 HydrophobicContact CB-CG 4.33Å; A1208-L1210 PolarHBondContact O-N 3.13Å; L1210-T1212 PolarHBondContact O-N 2.59Å | ||
| 1211 | G | 40.5 | Very low | 58.2 | Low | 75 Ų | 75 | 67.7 Ų | 67.7 | 77% | 0.773 | 38% | 0.383 | S | S | * | . | trans | -59.3 | 110.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1212 | T | 43.7 | Very low | 58.8 | Low | 117 Ų | 117 | 70.3 Ų | 70.3 | 72% | 0.718 | 40% | 0.4 | S | S | * | . | trans | -102.5 | 128.5 | 178.3 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | L1210 | L1210-T1212 PolarHBondContact O-N 2.59Š| ||
| 1213 | F | 51 | Low | 59.6 | Low | 91 Ų | 91 | 65.3 Ų | 65.3 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | trans | -98.5 | 125.2 | 170.5 | -53.6 | -69.6 | 0 | 0 | 0 | 109.9 | I1215 F1229 L1242 G1246 S1247 | F1213-I1215 PolarHBondContact O-N 2.54Å; F1213-F1229 HydrophobicContact CB-CZ 4.38Å; F1213-L1242 HydrophobicContact CE2-CD2 3.9Å; F1213-L1242 HydrophobicContact CZ-CD2 3.79Å; F1213-G1246 WeakPolarHBondContact CE1-O 3.4Å; F1213-S1247 VanDerWaalsContact CD1-CB 3.46Å | ||
| 1214 | K | 50.7 | Low | 60 | Low | 185 Ų | 185 | 71.3 Ų | 71.3 | 80% | 0.804 | 40% | 0.404 | S | S | * | . | trans | -73.1 | 115.1 | 175.1 | -76 | -179.9 | 179.7 | 169.5 | 0 | 109.9 | ||||
| 1215 | I | 62.2 | Low | 60.3 | Low | 60 Ų | 60 | 71.3 Ų | 71.3 | 31% | 0.308 | 41% | 0.408 | S | S | . | . | trans | -107.3 | 142.8 | 174.2 | -58.8 | 162 | 0 | 0 | 0 | 108.4 | F1213 F1217 F1229 V1231 | F1213-I1215 PolarHBondContact O-N 2.54Å; I1215-F1217 VanDerWaalsContact C-N 3.3Å; I1215-F1217 PolarHBondContact O-N 3.35Å; I1215-F1229 HydrophobicContact CD1-CE2 4.11Å; I1215-F1229 HydrophobicContact CG1-CE2 4.28Å; I1215-V1231 HydrophobicContact CD1-CG2 3.85Å; I1215-V1231 HydrophobicContact CG1-CG2 4.4Å; I1215-V1231 HydrophobicContact CG2-CB 4.4Å; I1215-V1231 HydrophobicContact CG2-CG1 3.74Å; I1215-V1231 HydrophobicContact CG2-CG2 4.22Å | ||
| 1216 | P | 61.9 | Low | 60.3 | Low | 94 Ų | 94 | 78.3 Ų | 78.3 | 61% | 0.61 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -76.5 | -12.2 | -170.8 | -16.5 | 32.6 | 0 | 0 | 0 | 115.2 | R1238 Y1240 | P1216-R1238 VanDerWaalsContact CB-NH1 3.31Å; P1216-Y1240 WeakPolarHBondContact CD-OH 3.48Å |
| 1217 | F | 72.4 | Confident | 60.7 | Low | 42 Ų | 42 | 81.6 Ų | 81.6 | 18% | 0.184 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -146.6 | 163.8 | -177.6 | 57.8 | -107 | 0 | 0 | 0 | 110.4 | I1215 P1219 V1231 I1233 R1238 | I1215-F1217 VanDerWaalsContact C-N 3.3Å; I1215-F1217 PolarHBondContact O-N 3.35Å; F1217-P1219 VanDerWaalsContact O-CD 3.29Å; F1217-P1219 WeakPolarHBondContact O-CD 3.46Å; F1217-V1231 HydrophobicContact CD2-CG1 4.12Å; F1217-V1231 HydrophobicContact CE2-CB 4.31Å; F1217-V1231 HydrophobicContact CE2-CG1 3.34Å; F1217-V1231 HydrophobicContact CZ-CB 4.37Å; F1217-V1231 HydrophobicContact CZ-CG1 3.83Å; F1217-I1233 HydrophobicContact CB-CD1 4.38Å; F1217-I1233 HydrophobicContact CD1-CG2 4.35Å; F1217-I1233 HydrophobicContact CD2-CB 3.83Å; F1217-I1233 HydrophobicContact CD2-CD1 4.13Å; F1217-I1233 HydrophobicContact CD2-CG2 3.76Å; F1217-I1233 HydrophobicContact CE1-CG2 4.13Å; F1217-I1233 HydrophobicContact CE2-CB 3.68Å; F1217-I1233 HydrophobicContact CE2-CG2 3.52Å; F1217-I1233 HydrophobicContact CG-CD1 4.44Å; F1217-I1233 HydrophobicContact CG-CG2 4.19Å; F1217-I1233 HydrophobicContact CZ-CB 4.38Å; F1217-I1233 HydrophobicContact CZ-CG2 3.75Å; F1217-R1238 VanDerWaalsContact CD1-NH1 3.28Å; F1217-R1238 VanDerWaalsContact CE1-CD 3.46Å; F1217-R1238 HydrophobicContact CE1-CG 3.87Å; F1217-R1238 VanDerWaalsContact CE1-NH1 3.32Å; F1217-R1238 HydrophobicContact CZ-CB 4.4Å; F1217-R1238 HydrophobicContact CZ-CG 4.05Å |
| 1218 | E | 67.4 | Low | 61.6 | Low | 169 Ų | 169 | 81.2 Ų | 81.2 | 79% | 0.79 | 45% | 0.454 | S | S | * | . | trans | -77.2 | 113.5 | 175.5 | -168.8 | 173 | -174.6 | 0 | 0 | 110.3 | ||||
| 1219 | P | 71 | Confident | 63.1 | Low | 49 Ų | 49 | 79.8 Ų | 79.8 | 32% | 0.318 | 44% | 0.44 | S | S | . | . | trans | -64.8 | 134.5 | 179.8 | 12.5 | -19.3 | 0 | 0 | 0 | 112.8 | F1217 V1222 V1231 G1232 | F1217-P1219 VanDerWaalsContact O-CD 3.29Å; F1217-P1219 WeakPolarHBondContact O-CD 3.46Å; P1219-V1222 HydrophobicContact CB-CG2 3.51Å; P1219-V1222 HydrophobicContact CG-CG2 3.7Å; P1219-V1231 HydrophobicContact CB-CG1 3.51Å; P1219-V1231 HydrophobicContact CG-CG1 3.99Å; P1219-G1232 CarbonylContact C-O 3.53Å | ||
| 1220 | S | 75.8 | Confident | 64.9 | Low | 75 Ų | 75 | 76.9 Ų | 76.9 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -83.2 | -27.7 | 162.1 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | G1232 I1233 | S1220-G1232 PolarHBondContact N-O 3.06Å; S1220-G1232 PolarHBondContact OG-O 2.92Å; S1220-G1232 VanDerWaalsContact OG-O 3.11Å; S1220-I1233 WeakPolarHBondContact OG-CA 3.27Å |
| 1221 | V | 78 | Confident | 67.1 | Low | 26 Ų | 26 | 71.8 Ų | 71.8 | 16% | 0.158 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 139.4 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | G1232 V1259 I1262 | V1221-G1232 PolarHBondContact N-O 2.87Å; V1221-G1232 PolarHBondContact O-N 2.98Å; V1221-V1259 HydrophobicContact CB-CG1 4.43Å; V1221-V1259 HydrophobicContact CG2-CG1 4.35Å; V1221-V1259 WeakPolarHBondContact CG2-O 3.43Å; V1221-I1262 HydrophobicContact CB-CD1 4.16Å; V1221-I1262 HydrophobicContact CG1-CB 4.26Å; V1221-I1262 HydrophobicContact CG1-CD1 3.93Å; V1221-I1262 HydrophobicContact CG1-CG1 3.88Å |
| 1222 | V | 75.8 | Confident | 69.1 | Low | 83 Ų | 83 | 68.2 Ų | 68.2 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.8 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | P1219 A1230 | P1219-V1222 HydrophobicContact CB-CG2 3.51Å; P1219-V1222 HydrophobicContact CG-CG2 3.7Å; V1222-A1230 WeakPolarHBondContact CA-O 3.42Å |
| 1223 | A | 71.8 | Confident | 71 | Confident | 9 Ų | 9 | 65 Ų | 65 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1229 A1230 I1262 L1264 | A1223-F1229 CarbonylContact O-C 3.56Å; A1223-F1229 VanDerWaalsContact O-CA 3.3Å; A1223-F1229 WeakPolarHBondContact O-CA 3.34Å; A1223-A1230 HydrophobicContact CB-CB 4.38Å; A1223-A1230 PolarHBondContact N-O 2.77Å; A1223-A1230 PolarHBondContact O-N 3.17Å; A1223-I1262 HydrophobicContact CB-CB 3.68Å; A1223-I1262 HydrophobicContact CB-CG2 3.49Å; A1223-I1262 VanDerWaalsContact CB-CG2 3.49Å; A1223-I1262 WeakPolarHBondContact CB-O 3.22Å; A1223-L1264 HydrophobicContact CB-CD1 3.78Å; A1223-L1264 HydrophobicContact CB-CG 3.86Å; A1223-L1264 WeakPolarHBondContact O-CD1 3.21Å |
| 1224 | L | 67.4 | Low | 72.7 | Confident | 137 Ų | 137 | 65.6 Ų | 65.6 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.9 | 176.5 | -69.1 | 163.2 | 0 | 0 | 0 | 108.6 | F1229 | L1224-F1229 HydrophobicContact CD2-CB 3.75Å |
| 1225 | G | 66.3 | Low | 74.4 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 19% | 0.186 | 33% | 0.325 | C | S | . | . | trans | -112.1 | -176.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N1227 H1228 | G1225-N1227 PolarHBondContact O-N 3.48Å; G1225-H1228 CarbonylContact C-O 3.46Å; G1225-H1228 VanDerWaalsContact CA-O 3.31Å; G1225-H1228 WeakPolarHBondContact CA-O 3.04Å; G1225-H1228 PolarHBondContact N-O 3.2Å | ||
| 1226 | K | 64.5 | Low | 75.5 | Confident | 155 Ų | 155 | 59.1 Ų | 59.1 | 67% | 0.674 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -61.9 | -44.2 | -176.5 | -169.9 | -178.1 | 175.4 | -179.8 | 0 | 113.2 | ||
| 1227 | N | 67.6 | Low | 76.7 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -125.9 | 1.8 | -176.8 | -63.7 | -2.4 | 0 | 0 | 0 | 112.4 | G1225 R1241 L1242 | G1225-N1227 PolarHBondContact O-N 3.48Å; N1227-R1241 CarbonylContact O-C 3.55Å; N1227-R1241 WeakPolarHBondContact O-CA 2.91Å; N1227-L1242 PolarHBondContact O-N 3.13Å |
| 1228 | H | 76.4 | Confident | 77.4 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.7 | -170.9 | -56.1 | 111.3 | 0 | 0 | 0 | 109.7 | G1225 Y1240 R1266 I1281 | G1225-H1228 CarbonylContact C-O 3.46Å; G1225-H1228 VanDerWaalsContact CA-O 3.31Å; G1225-H1228 WeakPolarHBondContact CA-O 3.04Å; G1225-H1228 PolarHBondContact N-O 3.2Å; H1228-Y1240 CarbonylContact C-O 3.56Å; H1228-Y1240 WeakPolarHBondContact CA-O 3.42Å; H1228-Y1240 WeakPolarHBondContact CB-O 3.2Å; H1228-R1266 PolarHBondContact ND1-O 3.4Å; H1228-I1281 HydrophobicContact CB-CD1 4.36Å |
| 1229 | F | 77.3 | Confident | 78.3 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 153.3 | 167.4 | 72.3 | -92 | 0 | 0 | 0 | 110.4 | F1213 I1215 A1223 L1224 V1231 Y1240 L1242 | F1213-F1229 HydrophobicContact CB-CZ 4.38Å; I1215-F1229 HydrophobicContact CD1-CE2 4.11Å; I1215-F1229 HydrophobicContact CG1-CE2 4.28Å; A1223-F1229 CarbonylContact O-C 3.56Å; A1223-F1229 VanDerWaalsContact O-CA 3.3Å; A1223-F1229 WeakPolarHBondContact O-CA 3.34Å; L1224-F1229 HydrophobicContact CD2-CB 3.75Å; F1229-V1231 HydrophobicContact CD2-CG2 3.7Å; F1229-V1231 HydrophobicContact CE2-CG2 3.66Å; F1229-Y1240 HydrophobicContact CD1-CG 4.42Å; F1229-Y1240 AromaticContact CD2-CD2 3.76Å; F1229-Y1240 HydrophobicContact CD2-CD2 3.76Å; F1229-Y1240 HydrophobicContact CD2-CG 4.15Å; F1229-Y1240 HydrophobicContact CE1-CD1 4.44Å; F1229-Y1240 HydrophobicContact CE1-CD2 4.38Å; F1229-Y1240 AromaticContact CE1-CG 3.81Å; F1229-Y1240 HydrophobicContact CE1-CG 3.81Å; F1229-Y1240 HydrophobicContact CE2-CD1 4.26Å; F1229-Y1240 AromaticContact CE2-CD2 3.21Å; F1229-Y1240 HydrophobicContact CE2-CD2 3.21Å; F1229-Y1240 AromaticContact CE2-CE2 3.87Å; F1229-Y1240 HydrophobicContact CE2-CE2 3.87Å; F1229-Y1240 AromaticContact CE2-CG 3.46Å; F1229-Y1240 HydrophobicContact CE2-CG 3.46Å; F1229-Y1240 VanDerWaalsContact CE2-CG 3.46Å; F1229-Y1240 AromaticContact CZ-CD1 3.79Å; F1229-Y1240 HydrophobicContact CZ-CD1 3.79Å; F1229-Y1240 AromaticContact CZ-CD2 3.59Å; F1229-Y1240 HydrophobicContact CZ-CD2 3.59Å; F1229-Y1240 HydrophobicContact CZ-CE2 4.36Å; F1229-Y1240 AromaticContact CZ-CG 3.26Å; F1229-Y1240 HydrophobicContact CZ-CG 3.26Å; F1229-Y1240 PolarHBondContact N-O 3.23Å; F1229-Y1240 PolarHBondContact O-N 3.03Å; F1229-L1242 HydrophobicContact CD1-CD2 3.71Å; F1229-L1242 HydrophobicContact CD1-CG 4Å; F1229-L1242 HydrophobicContact CE1-CD2 4.09Å |
| 1230 | A | 83 | Confident | 78.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1222 A1223 V1237 R1238 F1239 I1262 L1264 | V1222-A1230 WeakPolarHBondContact CA-O 3.42Å; A1223-A1230 HydrophobicContact CB-CB 4.38Å; A1223-A1230 PolarHBondContact N-O 2.77Å; A1223-A1230 PolarHBondContact O-N 3.17Å; A1230-V1237 HydrophobicContact CB-CG1 3.94Å; A1230-R1238 CarbonylContact C-O 3.55Å; A1230-R1238 VanDerWaalsContact CA-O 3.24Å; A1230-R1238 WeakPolarHBondContact CA-O 3.22Å; A1230-F1239 HydrophobicContact CB-CD1 3.58Å; A1230-F1239 HydrophobicContact CB-CE1 3.64Å; A1230-I1262 HydrophobicContact CB-CG2 3.97Å; A1230-L1264 HydrophobicContact CB-CD1 3.88Å; A1230-L1264 HydrophobicContact CB-CD2 3.99Å; A1230-L1264 HydrophobicContact CB-CG 4.36Å |
| 1231 | V | 84.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 115.9 | -175.2 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | I1215 F1217 P1219 F1229 V1237 R1238 Y1240 | I1215-V1231 HydrophobicContact CD1-CG2 3.85Å; I1215-V1231 HydrophobicContact CG1-CG2 4.4Å; I1215-V1231 HydrophobicContact CG2-CB 4.4Å; I1215-V1231 HydrophobicContact CG2-CG1 3.74Å; I1215-V1231 HydrophobicContact CG2-CG2 4.22Å; F1217-V1231 HydrophobicContact CD2-CG1 4.12Å; F1217-V1231 HydrophobicContact CE2-CB 4.31Å; F1217-V1231 HydrophobicContact CE2-CG1 3.34Å; F1217-V1231 HydrophobicContact CZ-CB 4.37Å; F1217-V1231 HydrophobicContact CZ-CG1 3.83Å; P1219-V1231 HydrophobicContact CB-CG1 3.51Å; P1219-V1231 HydrophobicContact CG-CG1 3.99Å; F1229-V1231 HydrophobicContact CD2-CG2 3.7Å; F1229-V1231 HydrophobicContact CE2-CG2 3.66Å; V1231-V1237 CarbonylContact O-C 3.5Å; V1231-V1237 WeakPolarHBondContact O-CA 3.27Å; V1231-R1238 PolarHBondContact N-O 2.78Å; V1231-R1238 PolarHBondContact O-N 2.79Å; V1231-Y1240 HydrophobicContact CB-CE2 4.27Å; V1231-Y1240 HydrophobicContact CG2-CD2 4.11Å; V1231-Y1240 HydrophobicContact CG2-CE2 3.82Å |
| 1232 | G | 81.6 | Confident | 78.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1219 S1220 V1221 L1236 | P1219-G1232 CarbonylContact C-O 3.53Å; S1220-G1232 PolarHBondContact N-O 3.06Å; S1220-G1232 PolarHBondContact OG-O 2.92Å; S1220-G1232 VanDerWaalsContact OG-O 3.11Å; V1221-G1232 PolarHBondContact N-O 2.87Å; V1221-G1232 PolarHBondContact O-N 2.98Å; G1232-L1236 CarbonylContact C-O 3.53Å; G1232-L1236 VanDerWaalsContact CA-O 3.23Å; G1232-L1236 WeakPolarHBondContact CA-O 3.44Å |
| 1233 | I | 85.1 | Confident | 77.5 | Confident | 49 Ų | 49 | 47.5 Ų | 47.5 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 126.3 | 167.3 | -169.6 | 172 | 0 | 0 | 0 | 108.8 | F1217 S1220 N1235 L1236 | F1217-I1233 HydrophobicContact CB-CD1 4.38Å; F1217-I1233 HydrophobicContact CD1-CG2 4.35Å; F1217-I1233 HydrophobicContact CD2-CB 3.83Å; F1217-I1233 HydrophobicContact CD2-CD1 4.13Å; F1217-I1233 HydrophobicContact CD2-CG2 3.76Å; F1217-I1233 HydrophobicContact CE1-CG2 4.13Å; F1217-I1233 HydrophobicContact CE2-CB 3.68Å; F1217-I1233 HydrophobicContact CE2-CG2 3.52Å; F1217-I1233 HydrophobicContact CG-CD1 4.44Å; F1217-I1233 HydrophobicContact CG-CG2 4.19Å; F1217-I1233 HydrophobicContact CZ-CB 4.38Å; F1217-I1233 HydrophobicContact CZ-CG2 3.75Å; S1220-I1233 WeakPolarHBondContact OG-CA 3.27Å; I1233-N1235 PolarHBondContact O-N 2.97Å; I1233-L1236 HydrophobicContact CG2-CB 4.11Å; I1233-L1236 PolarHBondContact N-O 3.11Å; I1233-L1236 PolarHBondContact O-N 3.05Å |
| 1234 | N | 86 | Confident | 76.5 | Confident | 104 Ų | 104 | 57.1 Ų | 57.1 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | -109.1 | -175.8 | -64.4 | -29.5 | 0 | 0 | 0 | 112.2 | T1258 V1259 | N1234-T1258 CarbonylContact O-C 3.37Å; N1234-T1258 WeakPolarHBondContact O-CA 3.33Å; N1234-V1259 WeakPolarHBondContact O-CB 3.42Å; N1234-V1259 WeakPolarHBondContact O-CG2 3.19Å; N1234-V1259 PolarHBondContact O-N 3.4Å |
| 1235 | N | 87 | Confident | 75.4 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -1.3 | 179.6 | 52.1 | -39 | 0 | 0 | 0 | 113.6 | I1233 E1254 Y1255 | I1233-N1235 PolarHBondContact O-N 2.97Å; N1235-E1254 CarbonylContact O-C 3.4Å; N1235-E1254 WeakPolarHBondContact O-CA 3.29Å; N1235-Y1255 WeakPolarHBondContact CB-O 3.43Å; N1235-Y1255 PolarHBondContact O-N 3.02Å |
| 1236 | L | 85.7 | Confident | 74.8 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 23% | 0.225 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138 | -177.4 | -77.7 | 155 | 0 | 0 | 0 | 111 | G1232 I1233 E1252 E1254 | G1232-L1236 CarbonylContact C-O 3.53Å; G1232-L1236 VanDerWaalsContact CA-O 3.23Å; G1232-L1236 WeakPolarHBondContact CA-O 3.44Å; I1233-L1236 HydrophobicContact CG2-CB 4.11Å; I1233-L1236 PolarHBondContact N-O 3.11Å; I1233-L1236 PolarHBondContact O-N 3.05Å; L1236-E1252 HydrophobicContact CD2-CG 3.83Å; L1236-E1254 HydrophobicContact CD2-CG 3.31Å; L1236-E1254 HydrophobicContact CG-CG 4.04Å |
| 1237 | V | 87.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131 | 169.2 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | A1230 V1231 F1239 E1252 S1253 Y1255 V1259 I1262 V1271 | A1230-V1237 HydrophobicContact CB-CG1 3.94Å; V1231-V1237 CarbonylContact O-C 3.5Å; V1231-V1237 WeakPolarHBondContact O-CA 3.27Å; V1237-F1239 HydrophobicContact CB-CZ 4.38Å; V1237-F1239 HydrophobicContact CG1-CD1 4.47Å; V1237-F1239 HydrophobicContact CG1-CE1 3.86Å; V1237-F1239 HydrophobicContact CG1-CE2 4.2Å; V1237-F1239 HydrophobicContact CG1-CZ 3.72Å; V1237-E1252 WeakPolarHBondContact O-CA 3.25Å; V1237-S1253 PolarHBondContact N-O 2.85Å; V1237-S1253 PolarHBondContact O-N 2.7Å; V1237-S1253 PolarHBondContact O-OG 2.66Å; V1237-Y1255 HydrophobicContact CB-CD2 4.48Å; V1237-Y1255 HydrophobicContact CB-CE2 3.88Å; V1237-Y1255 HydrophobicContact CG2-CD2 3.84Å; V1237-Y1255 HydrophobicContact CG2-CE2 3.53Å; V1237-V1259 HydrophobicContact CG2-CG1 4.21Å; V1237-V1259 HydrophobicContact CG2-CG2 3.82Å; V1237-I1262 HydrophobicContact CB-CD1 4.49Å; V1237-I1262 HydrophobicContact CG1-CD1 3.8Å; V1237-I1262 HydrophobicContact CG2-CD1 3.83Å; V1237-I1262 HydrophobicContact CG2-CG1 4.4Å; V1237-V1271 HydrophobicContact CG2-CG1 4.36Å |
| 1238 | R | 86.3 | Confident | 75.1 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 21% | 0.208 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.7 | 171.9 | -71 | -167.8 | 174.6 | 148.6 | 2 | 110.6 | P1216 F1217 A1230 V1231 Y1240 F1249 T1251 E1252 | P1216-R1238 VanDerWaalsContact CB-NH1 3.31Å; F1217-R1238 VanDerWaalsContact CD1-NH1 3.28Å; F1217-R1238 VanDerWaalsContact CE1-CD 3.46Å; F1217-R1238 HydrophobicContact CE1-CG 3.87Å; F1217-R1238 VanDerWaalsContact CE1-NH1 3.32Å; F1217-R1238 HydrophobicContact CZ-CB 4.4Å; F1217-R1238 HydrophobicContact CZ-CG 4.05Å; A1230-R1238 CarbonylContact C-O 3.55Å; A1230-R1238 VanDerWaalsContact CA-O 3.24Å; A1230-R1238 WeakPolarHBondContact CA-O 3.22Å; V1231-R1238 PolarHBondContact N-O 2.78Å; V1231-R1238 PolarHBondContact O-N 2.79Å; R1238-Y1240 HydrophobicContact CB-CD2 4.44Å; R1238-Y1240 HydrophobicContact CB-CE2 3.62Å; R1238-F1249 HydrophobicContact CB-CE2 4.09Å; R1238-F1249 HydrophobicContact CG-CE2 3.98Å; R1238-T1251 WeakPolarHBondContact CA-O 3.3Å; R1238-E1252 HydrophobicContact CG-CB 4.28Å; R1238-E1252 HydrophobicContact CG-CG 4.15Å; R1238-E1252 IonicContact CZ-OE2 2.77Å; R1238-E1252 IonicContact NE-OE2 2.72Å; R1238-E1252 PolarHBondContact NE-OE2 2.7Å; R1238-E1252 IonicContact NH2-OE2 3.53Å; R1238-E1252 PolarHBondContact NH2-OE2 3.13Å |
| 1239 | F | 86.8 | Confident | 75.3 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 140.4 | 176.3 | -58.5 | -76.5 | 0 | 0 | 0 | 111 | A1230 V1237 L1250 T1251 S1253 L1264 A1269 I1281 | A1230-F1239 HydrophobicContact CB-CD1 3.58Å; A1230-F1239 HydrophobicContact CB-CE1 3.64Å; V1237-F1239 HydrophobicContact CB-CZ 4.38Å; V1237-F1239 HydrophobicContact CG1-CD1 4.47Å; V1237-F1239 HydrophobicContact CG1-CE1 3.86Å; V1237-F1239 HydrophobicContact CG1-CE2 4.2Å; V1237-F1239 HydrophobicContact CG1-CZ 3.72Å; F1239-L1250 HydrophobicContact CB-CB 4.39Å; F1239-L1250 WeakPolarHBondContact O-CB 3.28Å; F1239-L1250 PolarHBondContact O-N 2.79Å; F1239-T1251 WeakPolarHBondContact CD2-OG1 3.41Å; F1239-T1251 PolarHBondContact N-O 2.85Å; F1239-T1251 PolarHBondContact O-N 2.86Å; F1239-S1253 VanDerWaalsContact CE2-OG 3.28Å; F1239-S1253 WeakPolarHBondContact CE2-OG 3.28Å; F1239-L1264 HydrophobicContact CD1-CD2 4.18Å; F1239-L1264 HydrophobicContact CE1-CD2 3.88Å; F1239-A1269 HydrophobicContact CD1-CB 4.35Å; F1239-A1269 HydrophobicContact CE1-CB 3.27Å; F1239-A1269 HydrophobicContact CZ-CB 3.48Å; F1239-A1269 VanDerWaalsContact CZ-CB 3.48Å; F1239-I1281 HydrophobicContact CB-CG2 4.42Å |
| 1240 | Y | 79.5 | Confident | 75.6 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.1 | -179.5 | -62.9 | -96.4 | 0 | 0 | 0 | 109.6 | P1216 H1228 F1229 V1231 R1238 Q1248 F1249 | P1216-Y1240 WeakPolarHBondContact CD-OH 3.48Å; H1228-Y1240 CarbonylContact C-O 3.56Å; H1228-Y1240 WeakPolarHBondContact CA-O 3.42Å; H1228-Y1240 WeakPolarHBondContact CB-O 3.2Å; F1229-Y1240 HydrophobicContact CD1-CG 4.42Å; F1229-Y1240 AromaticContact CD2-CD2 3.76Å; F1229-Y1240 HydrophobicContact CD2-CD2 3.76Å; F1229-Y1240 HydrophobicContact CD2-CG 4.15Å; F1229-Y1240 HydrophobicContact CE1-CD1 4.44Å; F1229-Y1240 HydrophobicContact CE1-CD2 4.38Å; F1229-Y1240 AromaticContact CE1-CG 3.81Å; F1229-Y1240 HydrophobicContact CE1-CG 3.81Å; F1229-Y1240 HydrophobicContact CE2-CD1 4.26Å; F1229-Y1240 AromaticContact CE2-CD2 3.21Å; F1229-Y1240 HydrophobicContact CE2-CD2 3.21Å; F1229-Y1240 AromaticContact CE2-CE2 3.87Å; F1229-Y1240 HydrophobicContact CE2-CE2 3.87Å; F1229-Y1240 AromaticContact CE2-CG 3.46Å; F1229-Y1240 HydrophobicContact CE2-CG 3.46Å; F1229-Y1240 VanDerWaalsContact CE2-CG 3.46Å; F1229-Y1240 AromaticContact CZ-CD1 3.79Å; F1229-Y1240 HydrophobicContact CZ-CD1 3.79Å; F1229-Y1240 AromaticContact CZ-CD2 3.59Å; F1229-Y1240 HydrophobicContact CZ-CD2 3.59Å; F1229-Y1240 HydrophobicContact CZ-CE2 4.36Å; F1229-Y1240 AromaticContact CZ-CG 3.26Å; F1229-Y1240 HydrophobicContact CZ-CG 3.26Å; F1229-Y1240 PolarHBondContact N-O 3.23Å; F1229-Y1240 PolarHBondContact O-N 3.03Å; V1231-Y1240 HydrophobicContact CB-CE2 4.27Å; V1231-Y1240 HydrophobicContact CG2-CD2 4.11Å; V1231-Y1240 HydrophobicContact CG2-CE2 3.82Å; R1238-Y1240 HydrophobicContact CB-CD2 4.44Å; R1238-Y1240 HydrophobicContact CB-CE2 3.62Å; Y1240-Q1248 CarbonylContact C-O 3.52Å; Y1240-Q1248 VanDerWaalsContact CA-O 3.25Å; Y1240-Q1248 WeakPolarHBondContact CA-O 3.39Å; Y1240-F1249 HydrophobicContact CD1-CB 4.05Å; Y1240-F1249 HydrophobicContact CD1-CD2 4.33Å; Y1240-F1249 HydrophobicContact CE1-CB 3.94Å; Y1240-F1249 AromaticContact CE1-CD2 3.86Å; Y1240-F1249 HydrophobicContact CE1-CD2 3.86Å; Y1240-F1249 HydrophobicContact CE1-CG 4.39Å |
| 1241 | R | 79 | Confident | 75.6 | Confident | 110 Ų | 110 | 61 Ų | 61 | 42% | 0.415 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.9 | 169.3 | -179.7 | 176.7 | -72.3 | 164.9 | -3.5 | 109.8 | N1227 T1243 S1247 Q1248 L1250 | N1227-R1241 CarbonylContact O-C 3.55Å; N1227-R1241 WeakPolarHBondContact O-CA 2.91Å; R1241-T1243 HydrophobicContact CG-CG2 4.34Å; R1241-S1247 CarbonylContact O-C 3.55Å; R1241-S1247 VanDerWaalsContact O-CA 3.31Å; R1241-S1247 WeakPolarHBondContact O-CA 3.49Å; R1241-Q1248 HydrophobicContact CB-CB 4.34Å; R1241-Q1248 PolarHBondContact N-O 2.88Å; R1241-Q1248 PolarHBondContact O-N 3.47Å; R1241-L1250 HydrophobicContact CB-CD1 3.98Å; R1241-L1250 HydrophobicContact CB-CD2 4.03Å; R1241-L1250 HydrophobicContact CB-CG 4.04Å |
| 1242 | L | 67.3 | Low | 75.7 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 29% | 0.288 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 121.4 | 169.8 | -66.4 | 163.9 | 0 | 0 | 0 | 108.4 | F1213 N1227 F1229 | F1213-L1242 HydrophobicContact CE2-CD2 3.9Å; F1213-L1242 HydrophobicContact CZ-CD2 3.79Å; N1227-L1242 PolarHBondContact O-N 3.13Å; F1229-L1242 HydrophobicContact CD1-CD2 3.71Å; F1229-L1242 HydrophobicContact CD1-CG 4Å; F1229-L1242 HydrophobicContact CE1-CD2 4.09Å |
| 1243 | T | 57.5 | Low | 75.9 | Confident | 63 Ų | 63 | 66.2 Ų | 66.2 | 39% | 0.387 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 160.2 | 172.4 | 59 | 0 | 0 | 0 | 0 | 109.2 | R1241 Q1245 G1246 | R1241-T1243 HydrophobicContact CG-CG2 4.34Å; T1243-Q1245 PolarHBondContact O-N 2.8Å; T1243-Q1245 VanDerWaalsContact O-N 3.1Å; T1243-G1246 PolarHBondContact N-O 2.88Å; T1243-G1246 PolarHBondContact O-N 3.47Å; T1243-G1246 VanDerWaalsContact O-N 3.14Å; T1243-G1246 VanDerWaalsContact O-O 3.1Å; T1243-G1246 PolarHBondContact OG1-N 3.45Å; T1243-G1246 PolarHBondContact OG1-O 2.79Å |
| 1244 | Q | 50.6 | Low | 75.8 | Confident | 212 Ų | 212 | 70.6 Ų | 70.6 | 99% | 0.991 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.4 | 176 | -71.8 | 179.2 | -16.1 | 0 | 0 | 112.5 | ||
| 1245 | Q | 44 | Very low | 75.7 | Confident | 169 Ų | 169 | 66.6 Ų | 66.6 | 79% | 0.79 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -2.5 | -177.9 | -67.6 | 179.3 | -34.9 | 0 | 0 | 114.3 | T1243 | T1243-Q1245 PolarHBondContact O-N 2.8Å; T1243-Q1245 VanDerWaalsContact O-N 3.1Å |
| 1246 | G | 54.2 | Low | 75.2 | Confident | 20 Ų | 20 | 73 Ų | 73 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.8 | -144 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1213 T1243 | F1213-G1246 WeakPolarHBondContact CE1-O 3.4Å; T1243-G1246 PolarHBondContact N-O 2.88Å; T1243-G1246 PolarHBondContact O-N 3.47Å; T1243-G1246 VanDerWaalsContact O-N 3.14Å; T1243-G1246 VanDerWaalsContact O-O 3.1Å; T1243-G1246 PolarHBondContact OG1-N 3.45Å; T1243-G1246 PolarHBondContact OG1-O 2.79Å |
| 1247 | S | 64.5 | Low | 74.9 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.1 | 176.2 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | F1213 R1241 | F1213-S1247 VanDerWaalsContact CD1-CB 3.46Å; R1241-S1247 CarbonylContact O-C 3.55Å; R1241-S1247 VanDerWaalsContact O-CA 3.31Å; R1241-S1247 WeakPolarHBondContact O-CA 3.49Å |
| 1248 | Q | 73.1 | Confident | 74.8 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.8 | 173.7 | -176.6 | -179.6 | 17.9 | 0 | 0 | 109.4 | Y1240 R1241 L1250 | Y1240-Q1248 CarbonylContact C-O 3.52Å; Y1240-Q1248 VanDerWaalsContact CA-O 3.25Å; Y1240-Q1248 WeakPolarHBondContact CA-O 3.39Å; R1241-Q1248 HydrophobicContact CB-CB 4.34Å; R1241-Q1248 PolarHBondContact N-O 2.88Å; R1241-Q1248 PolarHBondContact O-N 3.47Å; Q1248-L1250 PolarHBondContact O-N 2.86Å |
| 1249 | F | 81.9 | Confident | 74.7 | Confident | 102 Ų | 102 | 74 Ų | 74 | 45% | 0.447 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 132.1 | 171.2 | 173.9 | -104.3 | 0 | 0 | 0 | 110 | R1238 Y1240 T1251 E1252 | R1238-F1249 HydrophobicContact CB-CE2 4.09Å; R1238-F1249 HydrophobicContact CG-CE2 3.98Å; Y1240-F1249 HydrophobicContact CD1-CB 4.05Å; Y1240-F1249 HydrophobicContact CD1-CD2 4.33Å; Y1240-F1249 HydrophobicContact CE1-CB 3.94Å; Y1240-F1249 AromaticContact CE1-CD2 3.86Å; Y1240-F1249 HydrophobicContact CE1-CD2 3.86Å; Y1240-F1249 HydrophobicContact CE1-CG 4.39Å; F1249-T1251 WeakPolarHBondContact CE2-O 3.13Å; F1249-E1252 HydrophobicContact CZ-CB 4.12Å |
| 1250 | L | 82.9 | Confident | 74.6 | Confident | 46 Ų | 46 | 79.3 Ų | 79.3 | 24% | 0.241 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -65.5 | 179.8 | -67.1 | 177.1 | 0 | 0 | 0 | 111 | F1239 R1241 Q1248 I1281 | F1239-L1250 HydrophobicContact CB-CB 4.39Å; F1239-L1250 WeakPolarHBondContact O-CB 3.28Å; F1239-L1250 PolarHBondContact O-N 2.79Å; R1241-L1250 HydrophobicContact CB-CD1 3.98Å; R1241-L1250 HydrophobicContact CB-CD2 4.03Å; R1241-L1250 HydrophobicContact CB-CG 4.04Å; Q1248-L1250 PolarHBondContact O-N 2.86Å; L1250-I1281 HydrophobicContact CD1-CG2 3.6Å |
| 1251 | T | 83.9 | Confident | 74.9 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 159.8 | -168.3 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | R1238 F1239 F1249 I1281 | R1238-T1251 WeakPolarHBondContact CA-O 3.3Å; F1239-T1251 WeakPolarHBondContact CD2-OG1 3.41Å; F1239-T1251 PolarHBondContact N-O 2.85Å; F1239-T1251 PolarHBondContact O-N 2.86Å; F1249-T1251 WeakPolarHBondContact CE2-O 3.13Å; T1251-I1281 PolarHBondContact OG1-O 3.42Å; T1251-I1281 VanDerWaalsContact OG1-O 3.13Å |
| 1252 | E | 85.7 | Confident | 75.3 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.7 | 171.6 | 179.9 | 174.7 | 108.2 | 0 | 0 | 108.4 | L1236 V1237 R1238 F1249 | L1236-E1252 HydrophobicContact CD2-CG 3.83Å; V1237-E1252 WeakPolarHBondContact O-CA 3.25Å; R1238-E1252 HydrophobicContact CG-CB 4.28Å; R1238-E1252 HydrophobicContact CG-CG 4.15Å; R1238-E1252 IonicContact CZ-OE2 2.77Å; R1238-E1252 IonicContact NE-OE2 2.72Å; R1238-E1252 PolarHBondContact NE-OE2 2.7Å; R1238-E1252 IonicContact NH2-OE2 3.53Å; R1238-E1252 PolarHBondContact NH2-OE2 3.13Å; F1249-E1252 HydrophobicContact CZ-CB 4.12Å |
| 1253 | S | 85.2 | Confident | 76.2 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.1 | 179.1 | 61 | 0 | 0 | 0 | 0 | 111 | V1237 F1239 Y1255 | V1237-S1253 PolarHBondContact N-O 2.85Å; V1237-S1253 PolarHBondContact O-N 2.7Å; V1237-S1253 PolarHBondContact O-OG 2.66Å; F1239-S1253 VanDerWaalsContact CE2-OG 3.28Å; F1239-S1253 WeakPolarHBondContact CE2-OG 3.28Å; S1253-Y1255 VanDerWaalsContact OG-CE2 3.29Å; S1253-Y1255 WeakPolarHBondContact OG-CE2 3.44Å |
| 1254 | E | 84.6 | Confident | 77.3 | Confident | 140 Ų | 140 | 75 Ų | 75 | 65% | 0.654 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 136.9 | 171.9 | -72.9 | -178.3 | 178 | 0 | 0 | 111.1 | N1235 L1236 | N1235-E1254 CarbonylContact O-C 3.4Å; N1235-E1254 WeakPolarHBondContact O-CA 3.29Å; L1236-E1254 HydrophobicContact CD2-CG 3.31Å; L1236-E1254 HydrophobicContact CG-CG 4.04Å |
| 1255 | Y | 82.9 | Confident | 78.5 | Confident | 20 Ų | 20 | 67 Ų | 67 | 8% | 0.078 | 35% | 0.345 | C | S | . | . | trans | -112.5 | 155.8 | 175.2 | -66.1 | -88.8 | 0 | 0 | 0 | 110.9 | N1235 V1237 S1253 G1257 V1259 V1271 T1279 | N1235-Y1255 WeakPolarHBondContact CB-O 3.43Å; N1235-Y1255 PolarHBondContact O-N 3.02Å; V1237-Y1255 HydrophobicContact CB-CD2 4.48Å; V1237-Y1255 HydrophobicContact CB-CE2 3.88Å; V1237-Y1255 HydrophobicContact CG2-CD2 3.84Å; V1237-Y1255 HydrophobicContact CG2-CE2 3.53Å; S1253-Y1255 VanDerWaalsContact OG-CE2 3.29Å; S1253-Y1255 WeakPolarHBondContact OG-CE2 3.44Å; Y1255-G1257 PolarHBondContact O-N 3.4Å; Y1255-G1257 VanDerWaalsContact O-N 3.12Å; Y1255-V1259 HydrophobicContact CD2-CG2 4.14Å; Y1255-V1271 HydrophobicContact CD1-CB 4.1Å; Y1255-V1271 HydrophobicContact CD1-CG1 4.14Å; Y1255-V1271 HydrophobicContact CD2-CB 4.45Å; Y1255-V1271 HydrophobicContact CD2-CG1 3.93Å; Y1255-V1271 HydrophobicContact CE1-CB 3.62Å; Y1255-V1271 HydrophobicContact CE1-CG1 4.09Å; Y1255-V1271 HydrophobicContact CE1-CG2 3.93Å; Y1255-V1271 HydrophobicContact CE2-CB 4Å; Y1255-V1271 HydrophobicContact CE2-CG1 3.87Å; Y1255-V1271 HydrophobicContact CE2-CG2 3.78Å; Y1255-V1271 HydrophobicContact CG-CB 4.49Å; Y1255-V1271 HydrophobicContact CG-CG1 4.06Å; Y1255-V1271 WeakPolarHBondContact OH-CG2 3.39Å; Y1255-T1279 HydrophobicContact CE1-CG2 3.88Å; Y1255-T1279 VanDerWaalsContact OH-CG2 3.25Å; Y1255-T1279 WeakPolarHBondContact OH-CG2 3.41Å; Y1255-T1279 PolarHBondContact OH-OG1 2.95Å | ||
| 1256 | M | 77.2 | Confident | 80 | Confident | 201 Ų | 201 | 67.1 Ų | 67.1 | 99% | 0.99 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -69.4 | -9.4 | -174.2 | -68.4 | -85.5 | -95.9 | 0 | 0 | 114.5 | ||
| 1257 | G | 79.8 | Confident | 81.1 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -147.6 | 178.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1255 V1259 C1273 | Y1255-G1257 PolarHBondContact O-N 3.4Å; Y1255-G1257 VanDerWaalsContact O-N 3.12Å; G1257-V1259 PolarHBondContact O-N 2.93Å; G1257-C1273 WeakPolarHBondContact CA-O 3.35Å |
| 1258 | T | 84.5 | Confident | 81.9 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | trans | -68.2 | 123.6 | 178.1 | 49.8 | 0 | 0 | 0 | 0 | 110.6 | N1234 K1260 C1273 | N1234-T1258 CarbonylContact O-C 3.37Å; N1234-T1258 WeakPolarHBondContact O-CA 3.33Å; T1258-K1260 PolarHBondContact O-N 3.12Å; T1258-C1273 WeakPolarHBondContact O-CA 3.5Å | ||
| 1259 | V | 84.5 | Confident | 82.5 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | trans | -68.6 | 113.1 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 109 | V1221 N1234 V1237 Y1255 G1257 I1262 V1271 | V1221-V1259 HydrophobicContact CB-CG1 4.43Å; V1221-V1259 HydrophobicContact CG2-CG1 4.35Å; V1221-V1259 WeakPolarHBondContact CG2-O 3.43Å; N1234-V1259 WeakPolarHBondContact O-CB 3.42Å; N1234-V1259 WeakPolarHBondContact O-CG2 3.19Å; N1234-V1259 PolarHBondContact O-N 3.4Å; V1237-V1259 HydrophobicContact CG2-CG1 4.21Å; V1237-V1259 HydrophobicContact CG2-CG2 3.82Å; Y1255-V1259 HydrophobicContact CD2-CG2 4.14Å; G1257-V1259 PolarHBondContact O-N 2.93Å; V1259-I1262 HydrophobicContact CG1-CD1 3.88Å; V1259-I1262 HydrophobicContact CG1-CG1 3.56Å; V1259-V1271 HydrophobicContact CB-CG1 4.22Å; V1259-V1271 HydrophobicContact CG1-CG1 3.62Å; V1259-V1271 HydrophobicContact CG2-CG1 3.75Å | ||
| 1260 | K | 84.2 | Confident | 82.7 | Confident | 114 Ų | 114 | 61.7 Ų | 61.7 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | trans | -95 | -35.4 | 179 | -67 | -176.5 | 179.4 | 177.1 | 0 | 112.9 | T1258 L1272 | T1258-K1260 PolarHBondContact O-N 3.12Å; K1260-L1272 HydrophobicContact CB-CD2 4.12Å; K1260-L1272 HydrophobicContact CB-CG 4.25Å; K1260-L1272 PolarHBondContact N-O 3.14Å | ||
| 1261 | A | 85.5 | Confident | 82.9 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 146.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1271 L1272 I1302 | A1261-V1271 WeakPolarHBondContact O-CA 3.43Å; A1261-L1272 HydrophobicContact CB-CB 4.11Å; A1261-L1272 HydrophobicContact CB-CD2 4.35Å; A1261-L1272 PolarHBondContact O-N 2.79Å; A1261-I1302 HydrophobicContact CB-CD1 4.31Å; A1261-I1302 HydrophobicContact CB-CG1 4.15Å |
| 1262 | I | 86.8 | Confident | 83.1 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.1 | 174.9 | -56.5 | 165 | 0 | 0 | 0 | 107.4 | V1221 A1223 A1230 V1237 V1259 L1264 F1270 V1271 | V1221-I1262 HydrophobicContact CB-CD1 4.16Å; V1221-I1262 HydrophobicContact CG1-CB 4.26Å; V1221-I1262 HydrophobicContact CG1-CD1 3.93Å; V1221-I1262 HydrophobicContact CG1-CG1 3.88Å; A1223-I1262 HydrophobicContact CB-CB 3.68Å; A1223-I1262 HydrophobicContact CB-CG2 3.49Å; A1223-I1262 VanDerWaalsContact CB-CG2 3.49Å; A1223-I1262 WeakPolarHBondContact CB-O 3.22Å; A1230-I1262 HydrophobicContact CB-CG2 3.97Å; V1237-I1262 HydrophobicContact CB-CD1 4.49Å; V1237-I1262 HydrophobicContact CG1-CD1 3.8Å; V1237-I1262 HydrophobicContact CG2-CD1 3.83Å; V1237-I1262 HydrophobicContact CG2-CG1 4.4Å; V1259-I1262 HydrophobicContact CG1-CD1 3.88Å; V1259-I1262 HydrophobicContact CG1-CG1 3.56Å; I1262-L1264 HydrophobicContact CG2-CD2 4.28Å; I1262-L1264 HydrophobicContact CG2-CG 4.43Å; I1262-F1270 CarbonylContact C-O 3.6Å; I1262-F1270 WeakPolarHBondContact CA-O 2.99Å; I1262-V1271 HydrophobicContact CG1-CG1 4.32Å; I1262-V1271 HydrophobicContact CG1-CG2 4.16Å; I1262-V1271 HydrophobicContact CG2-CG2 4.13Å |
| 1263 | K | 86.9 | Confident | 82.8 | Confident | 90 Ų | 90 | 55.1 Ų | 55.1 | 39% | 0.391 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135 | 172.5 | -62.7 | -67.2 | -178.1 | -176.7 | 0 | 109.2 | F1270 I1302 L1304 | K1263-F1270 PolarHBondContact N-O 2.61Å; K1263-F1270 PolarHBondContact O-N 2.84Å; K1263-I1302 HydrophobicContact CB-CD1 4.3Å; K1263-I1302 WeakPolarHBondContact CE-O 3.48Å; K1263-I1302 HydrophobicContact CG-CD1 3.81Å; K1263-I1302 HydrophobicContact CG-CG1 3.93Å; K1263-L1304 HydrophobicContact CB-CD1 3.33Å; K1263-L1304 HydrophobicContact CB-CG 3.77Å; K1263-L1304 HydrophobicContact CG-CD1 4.48Å; K1263-L1304 HydrophobicContact CG-CG 4.47Å |
| 1264 | L | 81.2 | Confident | 82.4 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.3 | -173.8 | -61.2 | 168.9 | 0 | 0 | 0 | 110 | A1223 A1230 F1239 I1262 A1269 | A1223-L1264 HydrophobicContact CB-CD1 3.78Å; A1223-L1264 HydrophobicContact CB-CG 3.86Å; A1223-L1264 WeakPolarHBondContact O-CD1 3.21Å; A1230-L1264 HydrophobicContact CB-CD1 3.88Å; A1230-L1264 HydrophobicContact CB-CD2 3.99Å; A1230-L1264 HydrophobicContact CB-CG 4.36Å; F1239-L1264 HydrophobicContact CD1-CD2 4.18Å; F1239-L1264 HydrophobicContact CE1-CD2 3.88Å; I1262-L1264 HydrophobicContact CG2-CD2 4.28Å; I1262-L1264 HydrophobicContact CG2-CG 4.43Å; L1264-A1269 HydrophobicContact CD2-CB 3.43Å; L1264-A1269 VanDerWaalsContact CD2-CB 3.43Å |
| 1265 | N | 76.3 | Confident | 82.1 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | trans | -101.4 | -159.6 | 161.1 | 74.4 | 19.6 | 0 | 0 | 0 | 109.2 | D1267 Q1268 | N1265-D1267 PolarHBondContact OD1-N 2.94Å; N1265-Q1268 PolarHBondContact N-O 3.05Å; N1265-Q1268 WeakPolarHBondContact OD1-CA 3.49Å; N1265-Q1268 WeakPolarHBondContact OD1-CB 3.46Å; N1265-Q1268 PolarHBondContact OD1-N 2.9Å; N1265-Q1268 PolarHBondContact OD1-O 3.2Å; N1265-Q1268 VanDerWaalsContact OD1-O 3.11Å | ||
| 1266 | R | 75.3 | Confident | 82 | Confident | 172 Ų | 172 | 50.4 Ų | 50.4 | 65% | 0.649 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -66.5 | -37 | -179.9 | -70.1 | -174.4 | -178.3 | -176.1 | 3 | 113 | H1228 | H1228-R1266 PolarHBondContact ND1-O 3.4Š|
| 1267 | D | 76.6 | Confident | 82.2 | Confident | 116 Ų | 116 | 41.1 Ų | 41.1 | 62% | 0.62 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -124.2 | -19 | -163.6 | -53.9 | -40.9 | 0 | 0 | 0 | 113.3 | N1265 I1281 | N1265-D1267 PolarHBondContact OD1-N 2.94Å; D1267-I1281 WeakPolarHBondContact O-CG1 3.47Å; D1267-I1281 PolarHBondContact O-N 3.45Å |
| 1268 | Q | 81.5 | Confident | 82.3 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 16% | 0.164 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.4 | -170.5 | -58.2 | -171.8 | -40.1 | 0 | 0 | 112.5 | N1265 F1270 T1279 D1280 | N1265-Q1268 PolarHBondContact N-O 3.05Å; N1265-Q1268 WeakPolarHBondContact OD1-CA 3.49Å; N1265-Q1268 WeakPolarHBondContact OD1-CB 3.46Å; N1265-Q1268 PolarHBondContact OD1-N 2.9Å; N1265-Q1268 PolarHBondContact OD1-O 3.2Å; N1265-Q1268 VanDerWaalsContact OD1-O 3.11Å; Q1268-F1270 HydrophobicContact CB-CE2 4.1Å; Q1268-T1279 CarbonylContact C-O 3.18Å; Q1268-T1279 VanDerWaalsContact CA-O 3.28Å; Q1268-T1279 WeakPolarHBondContact CA-O 3.26Å; Q1268-D1280 VanDerWaalsContact CG-OD1 3.3Å; Q1268-D1280 WeakPolarHBondContact CG-OD1 3.49Å; Q1268-D1280 PolarHBondContact NE2-OD1 2.98Å |
| 1269 | A | 84.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1239 L1264 S1278 T1279 | F1239-A1269 HydrophobicContact CD1-CB 4.35Å; F1239-A1269 HydrophobicContact CE1-CB 3.27Å; F1239-A1269 HydrophobicContact CZ-CB 3.48Å; F1239-A1269 VanDerWaalsContact CZ-CB 3.48Å; L1264-A1269 HydrophobicContact CD2-CB 3.43Å; L1264-A1269 VanDerWaalsContact CD2-CB 3.43Å; A1269-S1278 CarbonylContact O-C 3.58Å; A1269-S1278 WeakPolarHBondContact O-CA 3.23Å; A1269-T1279 PolarHBondContact N-O 3.3Å; A1269-T1279 PolarHBondContact O-N 3.21Å |
| 1270 | F | 87.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118.5 | 175.9 | -63.3 | -94.6 | 0 | 0 | 0 | 109.1 | I1262 K1263 Q1268 I1276 Y1289 L1304 I1309 I1323 | I1262-F1270 CarbonylContact C-O 3.6Å; I1262-F1270 WeakPolarHBondContact CA-O 2.99Å; K1263-F1270 PolarHBondContact N-O 2.61Å; K1263-F1270 PolarHBondContact O-N 2.84Å; Q1268-F1270 HydrophobicContact CB-CE2 4.1Å; F1270-I1276 HydrophobicContact CB-CG2 4.13Å; F1270-I1276 HydrophobicContact CD1-CG2 4.15Å; F1270-Y1289 HydrophobicContact CD1-CE2 4.39Å; F1270-Y1289 AromaticContact CE1-CE2 3.89Å; F1270-Y1289 HydrophobicContact CE1-CE2 3.89Å; F1270-L1304 HydrophobicContact CB-CD1 4.34Å; F1270-L1304 HydrophobicContact CB-CD2 4.44Å; F1270-L1304 HydrophobicContact CD1-CD2 4.47Å; F1270-L1304 HydrophobicContact CD2-CD1 3.47Å; F1270-L1304 VanDerWaalsContact CD2-CD1 3.47Å; F1270-L1304 HydrophobicContact CD2-CD2 3.75Å; F1270-L1304 HydrophobicContact CD2-CG 4.27Å; F1270-L1304 HydrophobicContact CE2-CD1 4.12Å; F1270-L1304 HydrophobicContact CE2-CD2 4.07Å; F1270-L1304 HydrophobicContact CG-CD1 4.17Å; F1270-L1304 HydrophobicContact CG-CD2 3.96Å; F1270-I1309 HydrophobicContact CB-CD1 4.36Å; F1270-I1309 HydrophobicContact CD1-CD1 3.58Å; F1270-I1309 HydrophobicContact CE1-CD1 4.13Å; F1270-I1309 HydrophobicContact CG-CD1 4.12Å; F1270-I1323 HydrophobicContact CZ-CG1 4.27Å; F1270-I1323 HydrophobicContact CZ-CG2 3.96Å |
| 1271 | V | 87.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122 | -170.2 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | V1237 Y1255 V1259 A1261 I1262 C1273 I1276 G1277 | V1237-V1271 HydrophobicContact CG2-CG1 4.36Å; Y1255-V1271 HydrophobicContact CD1-CB 4.1Å; Y1255-V1271 HydrophobicContact CD1-CG1 4.14Å; Y1255-V1271 HydrophobicContact CD2-CB 4.45Å; Y1255-V1271 HydrophobicContact CD2-CG1 3.93Å; Y1255-V1271 HydrophobicContact CE1-CB 3.62Å; Y1255-V1271 HydrophobicContact CE1-CG1 4.09Å; Y1255-V1271 HydrophobicContact CE1-CG2 3.93Å; Y1255-V1271 HydrophobicContact CE2-CB 4Å; Y1255-V1271 HydrophobicContact CE2-CG1 3.87Å; Y1255-V1271 HydrophobicContact CE2-CG2 3.78Å; Y1255-V1271 HydrophobicContact CG-CB 4.49Å; Y1255-V1271 HydrophobicContact CG-CG1 4.06Å; Y1255-V1271 WeakPolarHBondContact OH-CG2 3.39Å; V1259-V1271 HydrophobicContact CB-CG1 4.22Å; V1259-V1271 HydrophobicContact CG1-CG1 3.62Å; V1259-V1271 HydrophobicContact CG2-CG1 3.75Å; A1261-V1271 WeakPolarHBondContact O-CA 3.43Å; I1262-V1271 HydrophobicContact CG1-CG1 4.32Å; I1262-V1271 HydrophobicContact CG1-CG2 4.16Å; I1262-V1271 HydrophobicContact CG2-CG2 4.13Å; V1271-C1273 PolarHBondContact O-N 3.43Å; V1271-I1276 CarbonylContact O-C 3.6Å; V1271-I1276 WeakPolarHBondContact O-CA 3.42Å; V1271-G1277 PolarHBondContact N-O 3.18Å; V1271-G1277 PolarHBondContact O-N 3Å |
| 1272 | L | 87.6 | Confident | 80.9 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 108.5 | 176.5 | -179.3 | 64.4 | 0 | 0 | 0 | 109.7 | K1260 A1261 I1276 I1299 I1302 | K1260-L1272 HydrophobicContact CB-CD2 4.12Å; K1260-L1272 HydrophobicContact CB-CG 4.25Å; K1260-L1272 PolarHBondContact N-O 3.14Å; A1261-L1272 HydrophobicContact CB-CB 4.11Å; A1261-L1272 HydrophobicContact CB-CD2 4.35Å; A1261-L1272 PolarHBondContact O-N 2.79Å; L1272-I1276 HydrophobicContact CD1-CG1 4.35Å; L1272-I1299 HydrophobicContact CD1-CB 3.9Å; L1272-I1299 HydrophobicContact CD1-CG2 3.67Å; L1272-I1302 HydrophobicContact CB-CD1 4.09Å; L1272-I1302 HydrophobicContact CB-CG1 4.38Å; L1272-I1302 HydrophobicContact CB-CG2 4.44Å; L1272-I1302 HydrophobicContact CD1-CG2 4.33Å |
| 1273 | C | 79.8 | Confident | 79.7 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 17% | 0.169 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -129.2 | 21 | -179.2 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | G1257 T1258 V1271 A1275 | G1257-C1273 WeakPolarHBondContact CA-O 3.35Å; T1258-C1273 WeakPolarHBondContact O-CA 3.5Å; V1271-C1273 PolarHBondContact O-N 3.43Å; C1273-A1275 PolarHBondContact N-O 2.89Å |
| 1274 | G | 76.5 | Confident | 78.1 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 122.5 | -55.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1275 | A | 78.9 | Confident | 77.1 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -104.8 | -177.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | C1273 V1288 | C1273-A1275 PolarHBondContact N-O 2.89Å; A1275-V1288 HydrophobicContact CB-CG1 3.65Å |
| 1276 | I | 80.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 109.4 | 175.4 | -53.9 | 169.2 | 0 | 0 | 0 | 108.6 | F1270 V1271 L1272 V1288 Y1289 I1299 I1302 I1309 F1311 | F1270-I1276 HydrophobicContact CB-CG2 4.13Å; F1270-I1276 HydrophobicContact CD1-CG2 4.15Å; V1271-I1276 CarbonylContact O-C 3.6Å; V1271-I1276 WeakPolarHBondContact O-CA 3.42Å; L1272-I1276 HydrophobicContact CD1-CG1 4.35Å; I1276-V1288 CarbonylContact O-C 3.55Å; I1276-V1288 WeakPolarHBondContact O-CA 3.4Å; I1276-Y1289 PolarHBondContact N-O 3.14Å; I1276-Y1289 VanDerWaalsContact N-O 3.12Å; I1276-Y1289 PolarHBondContact O-N 3.08Å; I1276-I1299 HydrophobicContact CD1-CD1 3.94Å; I1276-I1299 HydrophobicContact CD1-CG2 4.39Å; I1276-I1299 HydrophobicContact CG1-CD1 3.79Å; I1276-I1299 HydrophobicContact CG1-CG2 4.44Å; I1276-I1302 HydrophobicContact CD1-CG2 3.5Å; I1276-I1302 VanDerWaalsContact CD1-CG2 3.5Å; I1276-I1302 HydrophobicContact CG1-CG2 3.71Å; I1276-I1309 HydrophobicContact CD1-CD1 3.98Å; I1276-I1309 HydrophobicContact CG2-CD1 3.89Å; I1276-F1311 HydrophobicContact CD1-CB 3.64Å; I1276-F1311 HydrophobicContact CD1-CD1 4.06Å; I1276-F1311 HydrophobicContact CD1-CG 3.92Å |
| 1277 | G | 80.8 | Confident | 76.2 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1271 K1287 | V1271-G1277 PolarHBondContact N-O 3.18Å; V1271-G1277 PolarHBondContact O-N 3Å; G1277-K1287 CarbonylContact C-O 3.5Å; G1277-K1287 WeakPolarHBondContact CA-O 3.32Å |
| 1278 | S | 82.6 | Confident | 76 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.5 | 169.9 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | A1269 S1286 K1287 | A1269-S1278 CarbonylContact O-C 3.58Å; A1269-S1278 WeakPolarHBondContact O-CA 3.23Å; S1278-S1286 CarbonylContact O-C 3.54Å; S1278-S1286 WeakPolarHBondContact O-CA 3.46Å; S1278-K1287 PolarHBondContact N-O 3.46Å; S1278-K1287 PolarHBondContact O-N 3.14Å |
| 1279 | T | 82.4 | Confident | 75.5 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.3 | 174.1 | 48.4 | 0 | 0 | 0 | 0 | 110 | Y1255 Q1268 A1269 | Y1255-T1279 HydrophobicContact CE1-CG2 3.88Å; Y1255-T1279 VanDerWaalsContact OH-CG2 3.25Å; Y1255-T1279 WeakPolarHBondContact OH-CG2 3.41Å; Y1255-T1279 PolarHBondContact OH-OG1 2.95Å; Q1268-T1279 CarbonylContact C-O 3.18Å; Q1268-T1279 VanDerWaalsContact CA-O 3.28Å; Q1268-T1279 WeakPolarHBondContact CA-O 3.26Å; A1269-T1279 PolarHBondContact N-O 3.3Å; A1269-T1279 PolarHBondContact O-N 3.21Å |
| 1280 | D | 81.2 | Confident | 74.6 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 21% | 0.214 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 138.7 | 166.4 | -69.4 | -13.1 | 0 | 0 | 0 | 109.1 | Q1268 S1282 G1283 S1284 Q1285 | Q1268-D1280 VanDerWaalsContact CG-OD1 3.3Å; Q1268-D1280 WeakPolarHBondContact CG-OD1 3.49Å; Q1268-D1280 PolarHBondContact NE2-OD1 2.98Å; D1280-S1282 PolarHBondContact O-N 3.39Å; D1280-S1282 VanDerWaalsContact O-N 3.13Å; D1280-G1283 PolarHBondContact O-N 2.89Å; D1280-S1284 VanDerWaalsContact CB-O 3.24Å; D1280-S1284 WeakPolarHBondContact CB-O 3.28Å; D1280-S1284 VanDerWaalsContact CG-O 3.23Å; D1280-S1284 PolarHBondContact OD2-OG 3.16Å; D1280-Q1285 PolarHBondContact N-O 3.4Å |
| 1281 | I | 75.6 | Confident | 73.2 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.1 | 179.8 | -63.9 | 169.4 | 0 | 0 | 0 | 110.8 | H1228 F1239 L1250 T1251 D1267 G1283 | H1228-I1281 HydrophobicContact CB-CD1 4.36Å; F1239-I1281 HydrophobicContact CB-CG2 4.42Å; L1250-I1281 HydrophobicContact CD1-CG2 3.6Å; T1251-I1281 PolarHBondContact OG1-O 3.42Å; T1251-I1281 VanDerWaalsContact OG1-O 3.13Å; D1267-I1281 WeakPolarHBondContact O-CG1 3.47Å; D1267-I1281 PolarHBondContact O-N 3.45Å; I1281-G1283 PolarHBondContact O-N 2.96Å |
| 1282 | S | 69 | Low | 71.8 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 61% | 0.608 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -5.2 | 171.4 | 48.5 | 0 | 0 | 0 | 0 | 114.9 | D1280 S1284 | D1280-S1282 PolarHBondContact O-N 3.39Å; D1280-S1282 VanDerWaalsContact O-N 3.13Å; S1282-S1284 VanDerWaalsContact C-N 3.35Å; S1282-S1284 PolarHBondContact OG-OG 3.42Å |
| 1283 | G | 61.7 | Low | 70 | Confident | 57 Ų | 57 | 59.2 Ų | 59.2 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 83.4 | 7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1280 I1281 | D1280-G1283 PolarHBondContact O-N 2.89Å; I1281-G1283 PolarHBondContact O-N 2.96Å |
| 1284 | S | 54.2 | Low | 68.6 | Low | 54 Ų | 54 | 65.6 Ų | 65.6 | 38% | 0.378 | 40% | 0.396 | S | S | . | . | trans | -97.5 | 108.5 | -178.9 | 47.4 | 0 | 0 | 0 | 0 | 110.7 | D1280 S1282 | D1280-S1284 VanDerWaalsContact CB-O 3.24Å; D1280-S1284 WeakPolarHBondContact CB-O 3.28Å; D1280-S1284 VanDerWaalsContact CG-O 3.23Å; D1280-S1284 PolarHBondContact OD2-OG 3.16Å; S1282-S1284 VanDerWaalsContact C-N 3.35Å; S1282-S1284 PolarHBondContact OG-OG 3.42Å | ||
| 1285 | Q | 59.2 | Low | 67.4 | Low | 148 Ų | 148 | 71.3 Ų | 71.3 | 69% | 0.692 | 41% | 0.41 | S | S | * | . | trans | 78.6 | 127 | 171 | -47.9 | -176.8 | -1.1 | 0 | 0 | 116.3 | D1280 | D1280-Q1285 PolarHBondContact N-O 3.4Š| ||
| 1286 | S | 61.3 | Low | 66.3 | Low | 94 Ų | 94 | 74 Ų | 74 | 66% | 0.657 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.5 | 166.3 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | S1278 | S1278-S1286 CarbonylContact O-C 3.54Å; S1278-S1286 WeakPolarHBondContact O-CA 3.46Å |
| 1287 | K | 71.6 | Confident | 65.8 | Low | 94 Ų | 94 | 78.9 Ų | 78.9 | 41% | 0.409 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 148.1 | 169.5 | -66.1 | -179.4 | -179.7 | 178.8 | 0 | 109 | G1277 S1278 Y1289 | G1277-K1287 CarbonylContact C-O 3.5Å; G1277-K1287 WeakPolarHBondContact CA-O 3.32Å; S1278-K1287 PolarHBondContact N-O 3.46Å; S1278-K1287 PolarHBondContact O-N 3.14Å; K1287-Y1289 HydrophobicContact CB-CE2 4.28Å |
| 1288 | V | 72.5 | Confident | 65.6 | Low | 91 Ų | 91 | 84 Ų | 84 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.2 | 177.1 | -177 | 0 | 0 | 0 | 0 | 109.2 | A1275 I1276 | A1275-V1288 HydrophobicContact CB-CG1 3.65Å; I1276-V1288 CarbonylContact O-C 3.55Å; I1276-V1288 WeakPolarHBondContact O-CA 3.4Å |
| 1289 | Y | 70 | Confident | 65.8 | Low | 6 Ų | 6 | 84.5 Ų | 84.5 | 2% | 0.024 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139 | 174.1 | -60.9 | -110.5 | 0 | 0 | 0 | 110.7 | F1270 I1276 K1287 I1323 T1326 | F1270-Y1289 HydrophobicContact CD1-CE2 4.39Å; F1270-Y1289 AromaticContact CE1-CE2 3.89Å; F1270-Y1289 HydrophobicContact CE1-CE2 3.89Å; I1276-Y1289 PolarHBondContact N-O 3.14Å; I1276-Y1289 VanDerWaalsContact N-O 3.12Å; I1276-Y1289 PolarHBondContact O-N 3.08Å; K1287-Y1289 HydrophobicContact CB-CE2 4.28Å; Y1289-I1323 PolarHBondContact OH-O 3.37Å; Y1289-T1326 HydrophobicContact CD1-CG2 4.09Å; Y1289-T1326 HydrophobicContact CE1-CG2 3.3Å |
| 1290 | P | 66.2 | Low | 65.9 | Low | 64 Ų | 64 | 86.1 Ų | 86.1 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | S | Bend | cis | -69.9 | 157.5 | -10.8 | 29 | -33.3 | 0 | 0 | 0 | 112.8 | ||
| 1291 | S | 59.4 | Low | 66.2 | Low | 90 Ų | 90 | 84.7 Ų | 84.7 | 63% | 0.629 | 49% | 0.491 | S | S | * | . | trans | -81.3 | -16.4 | -175.3 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1292 | T | 56.5 | Low | 66.8 | Low | 80 Ų | 80 | 84.8 Ų | 84.8 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -98.8 | 135.4 | 179.7 | 48.1 | 0 | 0 | 0 | 0 | 110.5 | E1294 | T1292-E1294 PolarHBondContact O-N 2.92Š|
| 1293 | E | 49.6 | Very low | 67.7 | Low | 203 Ų | 203 | 81.3 Ų | 81.3 | 95% | 0.949 | 47% | 0.466 | S | S | * | . | trans | -65.3 | 22.2 | 175.5 | -63.3 | -176.5 | 150.5 | 0 | 0 | 113.6 | Q1295 | E1293-Q1295 PolarHBondContact O-N 2.86Š| ||
| 1294 | E | 50.4 | Low | 68.8 | Low | 158 Ų | 158 | 80.1 Ų | 80.1 | 74% | 0.738 | 45% | 0.446 | S | S | * | . | trans | -75.8 | 90.1 | -177.5 | -71.6 | -174.7 | 164.2 | 0 | 0 | 110.4 | T1292 | T1292-E1294 PolarHBondContact O-N 2.92Š| ||
| 1295 | Q | 51.8 | Low | 70 | Confident | 167 Ų | 167 | 78.2 Ų | 78.2 | 78% | 0.78 | 43% | 0.432 | S | S | * | . | trans | 63 | 87.5 | 151.4 | -55.5 | -173.8 | 8.2 | 0 | 0 | 116.5 | E1293 E1297 | E1293-Q1295 PolarHBondContact O-N 2.86Å; Q1295-E1297 PolarHBondContact O-N 3.18Å | ||
| 1296 | G | 55.8 | Low | 70.8 | Confident | 93 Ų | 93 | 75 Ų | 75 | 96% | 0.959 | 43% | 0.43 | S | S | * | . | trans | 48.7 | -0.5 | 131.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1297 | E | 70.6 | Confident | 71.6 | Confident | 103 Ų | 103 | 77.2 Ų | 77.2 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 128.6 | -173.5 | -73.1 | -163.7 | 168.2 | 0 | 0 | 110.2 | Q1295 I1299 T1313 S1315 | Q1295-E1297 PolarHBondContact O-N 3.18Å; E1297-I1299 PolarHBondContact O-N 2.85Å; E1297-T1313 WeakPolarHBondContact OE2-CB 3.09Å; E1297-T1313 PolarHBondContact OE2-OG1 3.18Å; E1297-S1315 WeakPolarHBondContact OE1-CB 3.28Å; E1297-S1315 PolarHBondContact OE1-OG 3.43Å; E1297-S1315 PolarHBondContact OE2-OG 2.95Å |
| 1298 | K | 77.2 | Confident | 72.1 | Confident | 114 Ų | 114 | 74 Ų | 74 | 50% | 0.496 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 121.1 | -178.1 | -168.9 | -179.3 | -179.9 | -175.3 | 0 | 109.4 | T1300 E1314 | K1298-T1300 PolarHBondContact O-N 2.69Å; K1298-E1314 HydrophobicContact CB-CB 4.4Å; K1298-E1314 WeakPolarHBondContact CB-OE2 3.46Å; K1298-E1314 WeakPolarHBondContact CD-OE2 3.37Å; K1298-E1314 PolarHBondContact O-N 2.77Å |
| 1299 | I | 85.5 | Confident | 72.7 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 6% | 0.056 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.2 | 173.7 | -59.2 | 174.7 | 0 | 0 | 0 | 108.7 | L1272 I1276 E1297 I1302 F1311 S1312 | L1272-I1299 HydrophobicContact CD1-CB 3.9Å; L1272-I1299 HydrophobicContact CD1-CG2 3.67Å; I1276-I1299 HydrophobicContact CD1-CD1 3.94Å; I1276-I1299 HydrophobicContact CD1-CG2 4.39Å; I1276-I1299 HydrophobicContact CG1-CD1 3.79Å; I1276-I1299 HydrophobicContact CG1-CG2 4.44Å; E1297-I1299 PolarHBondContact O-N 2.85Å; I1299-I1302 HydrophobicContact CG2-CG2 4.26Å; I1299-F1311 HydrophobicContact CD1-CD2 4.32Å; I1299-F1311 HydrophobicContact CG1-CD2 4.39Å; I1299-F1311 HydrophobicContact CG2-CB 4.07Å; I1299-S1312 WeakPolarHBondContact CA-O 3.3Å |
| 1300 | T | 84.9 | Confident | 73.6 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 29% | 0.288 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -41 | -175.6 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | K1298 S1312 E1314 I1338 | K1298-T1300 PolarHBondContact O-N 2.69Å; T1300-S1312 PolarHBondContact N-O 3.12Å; T1300-S1312 PolarHBondContact OG1-O 2.83Å; T1300-S1312 VanDerWaalsContact OG1-O 3.12Å; T1300-S1312 PolarHBondContact OG1-OG 2.75Å; T1300-E1314 HydrophobicContact CG2-CB 4.13Å; T1300-I1338 WeakPolarHBondContact CB-O 3.36Å; T1300-I1338 PolarHBondContact OG1-O 2.66Å |
| 1301 | S | 86.4 | Confident | 74.6 | Confident | 11 Ų | 11 | 67 Ų | 67 | 8% | 0.077 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 158.3 | -178.5 | 81 | 0 | 0 | 0 | 0 | 113.2 | F1311 S1312 V1339 Q1340 V1341 | S1301-F1311 WeakPolarHBondContact O-CA 3.2Å; S1301-S1312 PolarHBondContact N-OG 3.23Å; S1301-S1312 PolarHBondContact O-N 3.13Å; S1301-S1312 PolarHBondContact OG-OG 3.26Å; S1301-V1339 WeakPolarHBondContact CB-O 3.32Å; S1301-Q1340 WeakPolarHBondContact OG-CA 3.43Å; S1301-V1341 WeakPolarHBondContact OG-CG1 3.37Å; S1301-V1341 PolarHBondContact OG-N 2.85Å |
| 1302 | I | 89.4 | Confident | 76 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 5% | 0.046 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.5 | 177.8 | 59.5 | 167.3 | 0 | 0 | 0 | 110.8 | A1261 K1263 L1272 I1276 I1299 F1311 | A1261-I1302 HydrophobicContact CB-CD1 4.31Å; A1261-I1302 HydrophobicContact CB-CG1 4.15Å; K1263-I1302 HydrophobicContact CB-CD1 4.3Å; K1263-I1302 WeakPolarHBondContact CE-O 3.48Å; K1263-I1302 HydrophobicContact CG-CD1 3.81Å; K1263-I1302 HydrophobicContact CG-CG1 3.93Å; L1272-I1302 HydrophobicContact CB-CD1 4.09Å; L1272-I1302 HydrophobicContact CB-CG1 4.38Å; L1272-I1302 HydrophobicContact CB-CG2 4.44Å; L1272-I1302 HydrophobicContact CD1-CG2 4.33Å; I1276-I1302 HydrophobicContact CD1-CG2 3.5Å; I1276-I1302 VanDerWaalsContact CD1-CG2 3.5Å; I1276-I1302 HydrophobicContact CG1-CG2 3.71Å; I1299-I1302 HydrophobicContact CG2-CG2 4.26Å; I1302-F1311 HydrophobicContact CG2-CB 4.28Å |
| 1303 | S | 88.4 | Confident | 77.3 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 150.1 | 175.6 | -149.3 | 0 | 0 | 0 | 0 | 109.5 | A1310 V1341 V1343 | S1303-A1310 PolarHBondContact N-O 3.39Å; S1303-A1310 PolarHBondContact O-N 2.72Å; S1303-A1310 VanDerWaalsContact O-O 3.14Å; S1303-V1341 WeakPolarHBondContact CB-O 3.36Å; S1303-V1341 PolarHBondContact OG-O 3.13Å; S1303-V1343 PolarHBondContact OG-N 2.87Å |
| 1304 | L | 84.8 | Confident | 78.9 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.3 | -177.1 | -64.3 | 177.2 | 0 | 0 | 0 | 109.6 | K1263 F1270 I1309 | K1263-L1304 HydrophobicContact CB-CD1 3.33Å; K1263-L1304 HydrophobicContact CB-CG 3.77Å; K1263-L1304 HydrophobicContact CG-CD1 4.48Å; K1263-L1304 HydrophobicContact CG-CG 4.47Å; F1270-L1304 HydrophobicContact CB-CD1 4.34Å; F1270-L1304 HydrophobicContact CB-CD2 4.44Å; F1270-L1304 HydrophobicContact CD1-CD2 4.47Å; F1270-L1304 HydrophobicContact CD2-CD1 3.47Å; F1270-L1304 VanDerWaalsContact CD2-CD1 3.47Å; F1270-L1304 HydrophobicContact CD2-CD2 3.75Å; F1270-L1304 HydrophobicContact CD2-CG 4.27Å; F1270-L1304 HydrophobicContact CE2-CD1 4.12Å; F1270-L1304 HydrophobicContact CE2-CD2 4.07Å; F1270-L1304 HydrophobicContact CG-CD1 4.17Å; F1270-L1304 HydrophobicContact CG-CD2 3.96Å; L1304-I1309 HydrophobicContact CD2-CB 3.72Å; L1304-I1309 HydrophobicContact CD2-CD1 3.89Å; L1304-I1309 HydrophobicContact CD2-CG1 3.67Å |
| 1305 | N | 79 | Confident | 80.5 | Confident | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.08 | 28% | 0.283 | C | S | . | . | trans | -127.4 | -167.9 | 159.8 | 75.1 | 12.4 | 0 | 0 | 0 | 110.2 | K1307 F1308 V1343 Q1344 G1347 | N1305-K1307 PolarHBondContact O-N 3.06Å; N1305-K1307 PolarHBondContact OD1-N 2.87Å; N1305-F1308 VanDerWaalsContact CG-CD2 3.46Å; N1305-F1308 PolarHBondContact N-O 3.44Å; N1305-F1308 WeakPolarHBondContact ND2-CD2 3.5Å; N1305-F1308 WeakPolarHBondContact ND2-CE2 3.4Å; N1305-F1308 WeakPolarHBondContact OD1-CD2 3.2Å; N1305-F1308 PolarHBondContact OD1-N 2.8Å; N1305-F1308 PolarHBondContact OD1-O 2.82Å; N1305-V1343 HydrophobicContact CB-CG1 4.14Å; N1305-Q1344 WeakPolarHBondContact CB-O 3.44Å; N1305-G1347 PolarHBondContact ND2-O 2.89Å | ||
| 1306 | A | 75.3 | Confident | 82 | Confident | 79 Ų | 79 | 42.1 Ų | 42.1 | 65% | 0.653 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -63.7 | -20.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1307 | K | 78.1 | Confident | 83.5 | Confident | 141 Ų | 141 | 38.7 Ų | 38.7 | 61% | 0.613 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -130.1 | -28.3 | -170.8 | -68.7 | -172.7 | 177.4 | -173.3 | 0 | 114.6 | N1305 I1323 | N1305-K1307 PolarHBondContact O-N 3.06Å; N1305-K1307 PolarHBondContact OD1-N 2.87Å; K1307-I1323 PolarHBondContact O-N 2.86Å |
| 1308 | F | 83.1 | Confident | 84.3 | Confident | 27 Ų | 27 | 33.8 Ų | 33.8 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.4 | -172.5 | -9.8 | -71.4 | 0 | 0 | 0 | 111.1 | N1305 Y1320 A1321 F1322 V1348 | N1305-F1308 VanDerWaalsContact CG-CD2 3.46Å; N1305-F1308 PolarHBondContact N-O 3.44Å; N1305-F1308 WeakPolarHBondContact ND2-CD2 3.5Å; N1305-F1308 WeakPolarHBondContact ND2-CE2 3.4Å; N1305-F1308 WeakPolarHBondContact OD1-CD2 3.2Å; N1305-F1308 PolarHBondContact OD1-N 2.8Å; N1305-F1308 PolarHBondContact OD1-O 2.82Å; F1308-Y1320 HydrophobicContact CB-CD1 4.33Å; F1308-Y1320 HydrophobicContact CD2-CD1 4.03Å; F1308-Y1320 HydrophobicContact CD2-CE1 4.46Å; F1308-Y1320 HydrophobicContact CG-CD1 4.49Å; F1308-A1321 CarbonylContact C-O 3.5Å; F1308-A1321 WeakPolarHBondContact CA-O 3.25Å; F1308-A1321 WeakPolarHBondContact CB-O 3.35Å; F1308-F1322 HydrophobicContact CD1-CD1 4.01Å; F1308-F1322 AromaticContact CD1-CE1 3.92Å; F1308-F1322 HydrophobicContact CD1-CE1 3.92Å; F1308-F1322 HydrophobicContact CE1-CD1 4.5Å; F1308-F1322 AromaticContact CE1-CE1 3.98Å; F1308-F1322 HydrophobicContact CE1-CE1 3.98Å; F1308-V1348 HydrophobicContact CD2-CG1 4.41Å; F1308-V1348 HydrophobicContact CE2-CG1 3.65Å; F1308-V1348 HydrophobicContact CZ-CG1 4.02Å |
| 1309 | I | 85.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 135 | 161.2 | -179.4 | 163.9 | 0 | 0 | 0 | 108.2 | F1270 I1276 L1304 Y1320 A1321 | F1270-I1309 HydrophobicContact CB-CD1 4.36Å; F1270-I1309 HydrophobicContact CD1-CD1 3.58Å; F1270-I1309 HydrophobicContact CE1-CD1 4.13Å; F1270-I1309 HydrophobicContact CG-CD1 4.12Å; I1276-I1309 HydrophobicContact CD1-CD1 3.98Å; I1276-I1309 HydrophobicContact CG2-CD1 3.89Å; L1304-I1309 HydrophobicContact CD2-CB 3.72Å; L1304-I1309 HydrophobicContact CD2-CD1 3.89Å; L1304-I1309 HydrophobicContact CD2-CG1 3.67Å; I1309-Y1320 WeakPolarHBondContact O-CA 3.47Å; I1309-A1321 HydrophobicContact CG2-CB 3.95Å; I1309-A1321 WeakPolarHBondContact CG2-O 3.45Å; I1309-A1321 PolarHBondContact N-O 2.81Å; I1309-A1321 PolarHBondContact O-N 3.19Å |
| 1310 | A | 87.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S1303 V1318 V1319 Y1320 V1343 | S1303-A1310 PolarHBondContact N-O 3.39Å; S1303-A1310 PolarHBondContact O-N 2.72Å; S1303-A1310 VanDerWaalsContact O-O 3.14Å; A1310-V1318 HydrophobicContact CB-CG1 4.45Å; A1310-V1319 VanDerWaalsContact CA-O 3.3Å; A1310-V1319 WeakPolarHBondContact CA-O 3.18Å; A1310-Y1320 HydrophobicContact CB-CD1 4.27Å; A1310-Y1320 HydrophobicContact CB-CE1 4.19Å; A1310-Y1320 HydrophobicContact CB-CE2 4.42Å; A1310-Y1320 HydrophobicContact CB-CG 4.48Å; A1310-V1343 HydrophobicContact CB-CG2 3.39Å |
| 1311 | F | 87.4 | Confident | 84.5 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.3 | 173.9 | 61.4 | -90.5 | 0 | 0 | 0 | 110.3 | I1276 I1299 S1301 I1302 V1318 V1319 A1321 | I1276-F1311 HydrophobicContact CD1-CB 3.64Å; I1276-F1311 HydrophobicContact CD1-CD1 4.06Å; I1276-F1311 HydrophobicContact CD1-CG 3.92Å; I1299-F1311 HydrophobicContact CD1-CD2 4.32Å; I1299-F1311 HydrophobicContact CG1-CD2 4.39Å; I1299-F1311 HydrophobicContact CG2-CB 4.07Å; S1301-F1311 WeakPolarHBondContact O-CA 3.2Å; I1302-F1311 HydrophobicContact CG2-CB 4.28Å; F1311-V1318 WeakPolarHBondContact O-CA 3.44Å; F1311-V1319 HydrophobicContact CD1-CB 4.32Å; F1311-V1319 HydrophobicContact CD2-CB 4.18Å; F1311-V1319 HydrophobicContact CE1-CB 3.82Å; F1311-V1319 HydrophobicContact CE1-CG1 3.76Å; F1311-V1319 HydrophobicContact CE2-CB 3.66Å; F1311-V1319 HydrophobicContact CE2-CG1 4.19Å; F1311-V1319 HydrophobicContact CE2-CG2 3.85Å; F1311-V1319 HydrophobicContact CG-CB 4.5Å; F1311-V1319 HydrophobicContact CZ-CB 3.47Å; F1311-V1319 VanDerWaalsContact CZ-CB 3.47Å; F1311-V1319 HydrophobicContact CZ-CG1 3.49Å; F1311-V1319 VanDerWaalsContact CZ-CG1 3.49Å; F1311-V1319 HydrophobicContact CZ-CG2 4.02Å; F1311-V1319 PolarHBondContact N-O 3.19Å; F1311-V1319 PolarHBondContact O-N 2.85Å; F1311-A1321 HydrophobicContact CE1-CB 4.48Å |
| 1312 | S | 88.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.7 | 178.5 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | I1299 T1300 S1301 T1317 | I1299-S1312 WeakPolarHBondContact CA-O 3.3Å; T1300-S1312 PolarHBondContact N-O 3.12Å; T1300-S1312 PolarHBondContact OG1-O 2.83Å; T1300-S1312 VanDerWaalsContact OG1-O 3.12Å; T1300-S1312 PolarHBondContact OG1-OG 2.75Å; S1301-S1312 PolarHBondContact N-OG 3.23Å; S1301-S1312 PolarHBondContact O-N 3.13Å; S1301-S1312 PolarHBondContact OG-OG 3.26Å; S1312-T1317 CarbonylContact C-O 3.55Å; S1312-T1317 WeakPolarHBondContact CA-O 3.46Å |
| 1313 | T | 83.7 | Confident | 83.8 | Confident | 8 Ų | 8 | 29.9 Ų | 29.9 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 157.1 | 177.7 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | E1297 S1315 G1316 T1317 | E1297-T1313 WeakPolarHBondContact OE2-CB 3.09Å; E1297-T1313 PolarHBondContact OE2-OG1 3.18Å; T1313-S1315 PolarHBondContact O-N 3.37Å; T1313-S1315 PolarHBondContact OG1-OG 2.97Å; T1313-G1316 PolarHBondContact O-N 3.35Å; T1313-G1316 VanDerWaalsContact O-N 3.07Å; T1313-T1317 WeakPolarHBondContact CG2-OG1 3.23Å; T1313-T1317 PolarHBondContact N-O 3.14Å; T1313-T1317 PolarHBondContact OG1-N 3.4Å; T1313-T1317 VanDerWaalsContact OG1-N 3.13Å; T1313-T1317 PolarHBondContact OG1-O 2.91Å; T1313-T1317 PolarHBondContact OG1-OG1 2.84Å |
| 1314 | E | 84 | Confident | 83 | Confident | 108 Ų | 108 | 37 Ų | 37 | 51% | 0.505 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.6 | 172.3 | -170.3 | 167.4 | -168.1 | 0 | 0 | 112.7 | K1298 T1300 G1316 A1337 | K1298-E1314 HydrophobicContact CB-CB 4.4Å; K1298-E1314 WeakPolarHBondContact CB-OE2 3.46Å; K1298-E1314 WeakPolarHBondContact CD-OE2 3.37Å; K1298-E1314 PolarHBondContact O-N 2.77Å; T1300-E1314 HydrophobicContact CG2-CB 4.13Å; E1314-G1316 PolarHBondContact O-N 3.49Å; E1314-A1337 WeakPolarHBondContact O-CB 3.41Å |
| 1315 | S | 83.6 | Confident | 82.4 | Confident | 58 Ų | 58 | 40.4 Ų | 40.4 | 41% | 0.406 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.5 | 173.6 | 59.8 | 0 | 0 | 0 | 0 | 114.3 | E1297 T1313 | E1297-S1315 WeakPolarHBondContact OE1-CB 3.28Å; E1297-S1315 PolarHBondContact OE1-OG 3.43Å; E1297-S1315 PolarHBondContact OE2-OG 2.95Å; T1313-S1315 PolarHBondContact O-N 3.37Å; T1313-S1315 PolarHBondContact OG1-OG 2.97Å |
| 1316 | G | 84.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 88.2 | 21.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1313 E1314 H1334 C1336 | T1313-G1316 PolarHBondContact O-N 3.35Å; T1313-G1316 VanDerWaalsContact O-N 3.07Å; E1314-G1316 PolarHBondContact O-N 3.49Å; G1316-H1334 PolarHBondContact O-N 3.04Å; G1316-C1336 VanDerWaalsContact CA-O 3.24Å; G1316-C1336 WeakPolarHBondContact CA-O 3.45Å |
| 1317 | T | 86.3 | Confident | 81.5 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 13% | 0.129 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.6 | 176.7 | 76.1 | 0 | 0 | 0 | 0 | 112 | S1312 T1313 Q1332 K1333 | S1312-T1317 CarbonylContact C-O 3.55Å; S1312-T1317 WeakPolarHBondContact CA-O 3.46Å; T1313-T1317 WeakPolarHBondContact CG2-OG1 3.23Å; T1313-T1317 PolarHBondContact N-O 3.14Å; T1313-T1317 PolarHBondContact OG1-N 3.4Å; T1313-T1317 VanDerWaalsContact OG1-N 3.13Å; T1313-T1317 PolarHBondContact OG1-O 2.91Å; T1313-T1317 PolarHBondContact OG1-OG1 2.84Å; T1317-Q1332 CarbonylContact C-O 3.46Å; T1317-Q1332 VanDerWaalsContact CA-O 3.28Å; T1317-Q1332 WeakPolarHBondContact CA-O 3.46Å; T1317-K1333 HydrophobicContact CG2-CG 4Å |
| 1318 | V | 86.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.7 | 166.5 | -173.7 | 0 | 0 | 0 | 0 | 108 | A1310 F1311 Y1320 V1331 Q1332 I1338 V1341 F1362 | A1310-V1318 HydrophobicContact CB-CG1 4.45Å; F1311-V1318 WeakPolarHBondContact O-CA 3.44Å; V1318-Y1320 HydrophobicContact CG1-CD2 4.27Å; V1318-Y1320 HydrophobicContact CG1-CE2 3.82Å; V1318-V1331 WeakPolarHBondContact O-CA 3.45Å; V1318-Q1332 HydrophobicContact CB-CB 4.3Å; V1318-Q1332 PolarHBondContact N-O 3.49Å; V1318-Q1332 PolarHBondContact O-N 2.86Å; V1318-I1338 HydrophobicContact CG2-CD1 3.26Å; V1318-V1341 HydrophobicContact CG1-CG2 4.03Å; V1318-V1341 HydrophobicContact CG2-CG2 4.42Å; V1318-F1362 HydrophobicContact CG1-CZ 4.16Å |
| 1319 | V | 85.7 | Confident | 80.6 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.3 | 180 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | A1310 F1311 T1328 V1331 | A1310-V1319 VanDerWaalsContact CA-O 3.3Å; A1310-V1319 WeakPolarHBondContact CA-O 3.18Å; F1311-V1319 HydrophobicContact CD1-CB 4.32Å; F1311-V1319 HydrophobicContact CD2-CB 4.18Å; F1311-V1319 HydrophobicContact CE1-CB 3.82Å; F1311-V1319 HydrophobicContact CE1-CG1 3.76Å; F1311-V1319 HydrophobicContact CE2-CB 3.66Å; F1311-V1319 HydrophobicContact CE2-CG1 4.19Å; F1311-V1319 HydrophobicContact CE2-CG2 3.85Å; F1311-V1319 HydrophobicContact CG-CB 4.5Å; F1311-V1319 HydrophobicContact CZ-CB 3.47Å; F1311-V1319 VanDerWaalsContact CZ-CB 3.47Å; F1311-V1319 HydrophobicContact CZ-CG1 3.49Å; F1311-V1319 VanDerWaalsContact CZ-CG1 3.49Å; F1311-V1319 HydrophobicContact CZ-CG2 4.02Å; F1311-V1319 PolarHBondContact N-O 3.19Å; F1311-V1319 PolarHBondContact O-N 2.85Å; V1319-T1328 HydrophobicContact CG1-CG2 3.75Å; V1319-V1331 HydrophobicContact CG2-CG1 4.48Å; V1319-V1331 HydrophobicContact CG2-CG2 4.37Å |
| 1320 | Y | 86.2 | Confident | 79.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126 | 169.1 | -75 | -107.5 | 0 | 0 | 0 | 109.2 | F1308 I1309 A1310 V1318 T1328 L1329 T1330 V1343 V1348 F1362 P1364 | F1308-Y1320 HydrophobicContact CB-CD1 4.33Å; F1308-Y1320 HydrophobicContact CD2-CD1 4.03Å; F1308-Y1320 HydrophobicContact CD2-CE1 4.46Å; F1308-Y1320 HydrophobicContact CG-CD1 4.49Å; I1309-Y1320 WeakPolarHBondContact O-CA 3.47Å; A1310-Y1320 HydrophobicContact CB-CD1 4.27Å; A1310-Y1320 HydrophobicContact CB-CE1 4.19Å; A1310-Y1320 HydrophobicContact CB-CE2 4.42Å; A1310-Y1320 HydrophobicContact CB-CG 4.48Å; V1318-Y1320 HydrophobicContact CG1-CD2 4.27Å; V1318-Y1320 HydrophobicContact CG1-CE2 3.82Å; Y1320-T1328 CarbonylContact O-C 3.57Å; Y1320-T1328 WeakPolarHBondContact O-CA 3.38Å; Y1320-L1329 PolarHBondContact O-N 3.41Å; Y1320-T1330 PolarHBondContact N-O 3.28Å; Y1320-V1343 HydrophobicContact CE1-CG1 3.87Å; Y1320-V1343 HydrophobicContact CE1-CG2 4.08Å; Y1320-V1348 PolarHBondContact OH-O 3.29Å; Y1320-F1362 AromaticContact CE2-CE2 3.81Å; Y1320-F1362 HydrophobicContact CE2-CE2 3.81Å; Y1320-F1362 HydrophobicContact CE2-CZ 4.02Å; Y1320-F1362 WeakPolarHBondContact OH-CE2 3.34Å; Y1320-F1362 VanDerWaalsContact OH-CZ 3.27Å; Y1320-F1362 WeakPolarHBondContact OH-CZ 3.45Å; Y1320-P1364 HydrophobicContact CE2-CB 4.35Å; Y1320-P1364 HydrophobicContact CE2-CG 4.1Å |
| 1321 | A | 81.4 | Confident | 79.4 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1308 I1309 F1311 D1327 T1328 | F1308-A1321 CarbonylContact C-O 3.5Å; F1308-A1321 WeakPolarHBondContact CA-O 3.25Å; F1308-A1321 WeakPolarHBondContact CB-O 3.35Å; I1309-A1321 HydrophobicContact CG2-CB 3.95Å; I1309-A1321 WeakPolarHBondContact CG2-O 3.45Å; I1309-A1321 PolarHBondContact N-O 2.81Å; I1309-A1321 PolarHBondContact O-N 3.19Å; F1311-A1321 HydrophobicContact CE1-CB 4.48Å; A1321-D1327 CarbonylContact C-O 3.44Å; A1321-D1327 VanDerWaalsContact CA-O 3.23Å; A1321-D1327 WeakPolarHBondContact CA-O 3.25Å; A1321-T1328 HydrophobicContact CB-CG2 4.46Å |
| 1322 | F | 81.5 | Confident | 79 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 32% | 0.316 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 135.7 | 174.8 | -77.5 | -76.5 | 0 | 0 | 0 | 111.3 | F1308 E1324 T1326 D1327 L1329 | F1308-F1322 HydrophobicContact CD1-CD1 4.01Å; F1308-F1322 AromaticContact CD1-CE1 3.92Å; F1308-F1322 HydrophobicContact CD1-CE1 3.92Å; F1308-F1322 HydrophobicContact CE1-CD1 4.5Å; F1308-F1322 AromaticContact CE1-CE1 3.98Å; F1308-F1322 HydrophobicContact CE1-CE1 3.98Å; F1322-E1324 VanDerWaalsContact C-N 3.3Å; F1322-E1324 PolarHBondContact O-N 3.43Å; F1322-T1326 VanDerWaalsContact O-CA 3.25Å; F1322-T1326 WeakPolarHBondContact O-CA 3.28Å; F1322-T1326 PolarHBondContact O-N 2.84Å; F1322-D1327 HydrophobicContact CD2-CB 4.3Å; F1322-D1327 PolarHBondContact N-O 2.97Å; F1322-L1329 HydrophobicContact CD2-CD1 4.34Å; F1322-L1329 HydrophobicContact CE1-CD1 4.5Å; F1322-L1329 HydrophobicContact CE2-CB 4.24Å; F1322-L1329 HydrophobicContact CE2-CD1 3.27Å; F1322-L1329 HydrophobicContact CE2-CG 4.36Å; F1322-L1329 HydrophobicContact CZ-CD1 3.37Å |
| 1323 | I | 78.5 | Confident | 78.7 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -34.2 | 178.1 | -67.6 | 168.3 | 0 | 0 | 0 | 111.5 | F1270 Y1289 K1307 | F1270-I1323 HydrophobicContact CZ-CG1 4.27Å; F1270-I1323 HydrophobicContact CZ-CG2 3.96Å; Y1289-I1323 PolarHBondContact OH-O 3.37Å; K1307-I1323 PolarHBondContact O-N 2.86Å |
| 1324 | E | 72.9 | Confident | 78.8 | Confident | 164 Ų | 164 | 57.8 Ų | 57.8 | 77% | 0.766 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -53.6 | -175 | -65.9 | 178.8 | 177.7 | 0 | 0 | 112.8 | F1322 | F1322-E1324 VanDerWaalsContact C-N 3.3Å; F1322-E1324 PolarHBondContact O-N 3.43Å |
| 1325 | N | 70.2 | Confident | 78.8 | Confident | 102 Ų | 102 | 59 Ų | 59 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -6.9 | -170 | -63.8 | -5.4 | 0 | 0 | 0 | 113.9 | D1327 | N1325-D1327 VanDerWaalsContact CB-OD2 3.29Å; N1325-D1327 WeakPolarHBondContact CB-OD2 3.47Å; N1325-D1327 PolarHBondContact O-N 3.08Å |
| 1326 | T | 64.6 | Low | 78.8 | Confident | 47 Ų | 47 | 57 Ų | 57 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | trans | 65.4 | 6.7 | -174 | 75.2 | 0 | 0 | 0 | 0 | 115.1 | Y1289 F1322 | Y1289-T1326 HydrophobicContact CD1-CG2 4.09Å; Y1289-T1326 HydrophobicContact CE1-CG2 3.3Å; F1322-T1326 VanDerWaalsContact O-CA 3.25Å; F1322-T1326 WeakPolarHBondContact O-CA 3.28Å; F1322-T1326 PolarHBondContact O-N 2.84Å | ||
| 1327 | D | 71.8 | Confident | 78.8 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 49% | 0.492 | 31% | 0.314 | S | S | . | . | trans | -64.9 | 134.5 | 177.3 | -63.5 | -33.5 | 0 | 0 | 0 | 111.3 | A1321 F1322 N1325 | A1321-D1327 CarbonylContact C-O 3.44Å; A1321-D1327 VanDerWaalsContact CA-O 3.23Å; A1321-D1327 WeakPolarHBondContact CA-O 3.25Å; F1322-D1327 HydrophobicContact CD2-CB 4.3Å; F1322-D1327 PolarHBondContact N-O 2.97Å; N1325-D1327 VanDerWaalsContact CB-OD2 3.29Å; N1325-D1327 WeakPolarHBondContact CB-OD2 3.47Å; N1325-D1327 PolarHBondContact O-N 3.08Å | ||
| 1328 | T | 71.2 | Confident | 78.9 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 129.6 | 175.2 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | V1319 Y1320 A1321 | V1319-T1328 HydrophobicContact CG1-CG2 3.75Å; Y1320-T1328 CarbonylContact O-C 3.57Å; Y1320-T1328 WeakPolarHBondContact O-CA 3.38Å; A1321-T1328 HydrophobicContact CB-CG2 4.46Å |
| 1329 | L | 70.6 | Confident | 78.8 | Confident | 76 Ų | 76 | 61.2 Ų | 61.2 | 40% | 0.398 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -51.8 | -176.1 | -174.3 | 105.3 | 0 | 0 | 0 | 111.9 | Y1320 F1322 | Y1320-L1329 PolarHBondContact O-N 3.41Å; F1322-L1329 HydrophobicContact CD2-CD1 4.34Å; F1322-L1329 HydrophobicContact CE1-CD1 4.5Å; F1322-L1329 HydrophobicContact CE2-CB 4.24Å; F1322-L1329 HydrophobicContact CE2-CD1 3.27Å; F1322-L1329 HydrophobicContact CE2-CG 4.36Å; F1322-L1329 HydrophobicContact CZ-CD1 3.37Å |
| 1330 | T | 70.6 | Confident | 78.9 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 20% | 0.202 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 147.1 | -174 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | Y1320 | Y1320-T1330 PolarHBondContact N-O 3.28Å |
| 1331 | V | 77.5 | Confident | 79.1 | Confident | 76 Ų | 76 | 64 Ų | 64 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.7 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | V1318 V1319 K1333 | V1318-V1331 WeakPolarHBondContact O-CA 3.45Å; V1319-V1331 HydrophobicContact CG2-CG1 4.48Å; V1319-V1331 HydrophobicContact CG2-CG2 4.37Å; V1331-K1333 HydrophobicContact CG1-CG 4.21Å |
| 1332 | Q | 78.3 | Confident | 79.4 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 12% | 0.121 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 126.6 | 170.6 | -169.1 | 72.6 | 22 | 0 | 0 | 108.5 | T1317 V1318 F1362 | T1317-Q1332 CarbonylContact C-O 3.46Å; T1317-Q1332 VanDerWaalsContact CA-O 3.28Å; T1317-Q1332 WeakPolarHBondContact CA-O 3.46Å; V1318-Q1332 HydrophobicContact CB-CB 4.3Å; V1318-Q1332 PolarHBondContact N-O 3.49Å; V1318-Q1332 PolarHBondContact O-N 2.86Å; Q1332-F1362 HydrophobicContact CB-CD2 4.46Å; Q1332-F1362 HydrophobicContact CG-CD2 4.21Å |
| 1333 | K | 82.8 | Confident | 79.8 | Confident | 165 Ų | 165 | 62 Ų | 62 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.6 | 175.9 | -60.4 | -170.6 | 178.8 | 178.8 | 0 | 110.2 | T1317 V1331 | T1317-K1333 HydrophobicContact CG2-CG 4Å; V1331-K1333 HydrophobicContact CG1-CG 4.21Å |
| 1334 | H | 85.8 | Confident | 80.1 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | trans | -115.9 | 152.5 | 174.5 | -170.2 | 66.4 | 0 | 0 | 0 | 109.9 | G1316 C1336 I1338 F1352 D1354 H1360 | G1316-H1334 PolarHBondContact O-N 3.04Å; H1334-C1336 VanDerWaalsContact C-N 3.27Å; H1334-C1336 PolarHBondContact CD2-N 2.94Å; H1334-C1336 PolarHBondContact CD2-O 3.41Å; H1334-C1336 PolarHBondContact O-N 2.99Å; H1334-I1338 HydrophobicContact CB-CD1 4.21Å; H1334-F1352 HydrophobicContact CB-CE2 4.27Å; H1334-F1352 HydrophobicContact CB-CZ 4.06Å; H1334-F1352 AromaticContact CD2-CE2 3.68Å; H1334-F1352 AromaticContact CG-CE2 3.73Å; H1334-F1352 AromaticContact CG-CZ 3.69Å; H1334-F1352 AromaticContact ND1-CE2 3.98Å; H1334-F1352 AromaticContact ND1-CZ 3.66Å; H1334-F1352 AromaticContact NE2-CE2 3.95Å; H1334-D1354 IonicContact NE2-OD2 2.71Å; H1334-H1360 AromaticContact CE1-CE1 4Å; H1334-H1360 AromaticContact CE1-NE2 3.87Å; H1334-H1360 AromaticContact NE2-NE2 3.99Å | ||
| 1335 | T | 84.7 | Confident | 80.3 | Confident | 132 Ų | 132 | 55 Ų | 55 | 81% | 0.81 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -72.4 | -21 | -175.5 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1336 | C | 83.6 | Confident | 80.4 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -113.7 | 150.9 | -178.3 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | G1316 H1334 I1338 D1354 K1356 | G1316-C1336 VanDerWaalsContact CA-O 3.24Å; G1316-C1336 WeakPolarHBondContact CA-O 3.45Å; H1334-C1336 VanDerWaalsContact C-N 3.27Å; H1334-C1336 PolarHBondContact CD2-N 2.94Å; H1334-C1336 PolarHBondContact CD2-O 3.41Å; H1334-C1336 PolarHBondContact O-N 2.99Å; C1336-I1338 PolarHBondContact O-N 3.37Å; C1336-D1354 HydrophobicContact CB-CB 4.01Å; C1336-D1354 WeakPolarHBondContact CB-OD2 2.98Å; C1336-K1356 VanDerWaalsContact SG-CE 3.51Å |
| 1337 | A | 84.4 | Confident | 81 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 24% | 0.24 | 30% | 0.298 | C | S | . | . | trans | -60.1 | 134.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1314 D1354 S1355 | E1314-A1337 WeakPolarHBondContact O-CB 3.41Å; A1337-D1354 CarbonylContact O-C 3.52Å; A1337-D1354 WeakPolarHBondContact O-CA 3.42Å; A1337-S1355 WeakPolarHBondContact O-CB 3.4Å; A1337-S1355 PolarHBondContact O-N 2.94Å | ||
| 1338 | I | 87.3 | Confident | 81.5 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125 | -178.4 | -66.4 | 172.9 | 0 | 0 | 0 | 108.8 | T1300 V1318 H1334 C1336 F1352 | T1300-I1338 WeakPolarHBondContact CB-O 3.36Å; T1300-I1338 PolarHBondContact OG1-O 2.66Å; V1318-I1338 HydrophobicContact CG2-CD1 3.26Å; H1334-I1338 HydrophobicContact CB-CD1 4.21Å; C1336-I1338 PolarHBondContact O-N 3.37Å; I1338-F1352 HydrophobicContact CD1-CD1 4.37Å; I1338-F1352 HydrophobicContact CD1-CD2 4Å; I1338-F1352 HydrophobicContact CD1-CE2 4.29Å; I1338-F1352 HydrophobicContact CD1-CG 4.05Å; I1338-F1352 HydrophobicContact CG1-CD2 3.84Å; I1338-F1352 HydrophobicContact CG1-CE2 4.23Å; I1338-F1352 HydrophobicContact CG1-CG 4.3Å; I1338-F1352 HydrophobicContact CG2-CB 3.8Å; I1338-F1352 HydrophobicContact CG2-CD2 4.34Å; I1338-F1352 HydrophobicContact CG2-CG 4.31Å |
| 1339 | V | 85.9 | Confident | 82.2 | Confident | 80 Ų | 80 | 47.4 Ų | 47.4 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -41.9 | -177.5 | 179.8 | 0 | 0 | 0 | 0 | 111 | S1301 I1353 | S1301-V1339 WeakPolarHBondContact CB-O 3.32Å; V1339-I1353 PolarHBondContact N-O 2.9Å |
| 1340 | Q | 86.7 | Confident | 83.1 | Confident | 69 Ų | 69 | 43.8 Ų | 43.8 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 139.4 | -175.8 | -167 | 167.1 | -3.8 | 0 | 0 | 111.3 | S1301 F1342 F1352 I1353 | S1301-Q1340 WeakPolarHBondContact OG-CA 3.43Å; Q1340-F1342 HydrophobicContact CB-CE2 4.28Å; Q1340-F1342 HydrophobicContact CG-CD2 4.45Å; Q1340-F1342 HydrophobicContact CG-CE1 4.24Å; Q1340-F1342 HydrophobicContact CG-CE2 3.74Å; Q1340-F1342 HydrophobicContact CG-CZ 3.64Å; Q1340-F1342 VanDerWaalsContact NE2-CE1 3.29Å; Q1340-F1352 CarbonylContact O-C 3.56Å; Q1340-F1352 WeakPolarHBondContact O-CA 3.5Å; Q1340-F1352 WeakPolarHBondContact O-CB 3.47Å; Q1340-I1353 HydrophobicContact CB-CD1 4.37Å; Q1340-I1353 PolarHBondContact N-O 3.18Å; Q1340-I1353 PolarHBondContact O-N 2.79Å |
| 1341 | V | 90.4 | Very high | 84 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.1 | 177.1 | 74.5 | 0 | 0 | 0 | 0 | 112 | S1301 S1303 V1318 I1351 F1352 F1362 | S1301-V1341 WeakPolarHBondContact OG-CG1 3.37Å; S1301-V1341 PolarHBondContact OG-N 2.85Å; S1303-V1341 WeakPolarHBondContact CB-O 3.36Å; S1303-V1341 PolarHBondContact OG-O 3.13Å; V1318-V1341 HydrophobicContact CG1-CG2 4.03Å; V1318-V1341 HydrophobicContact CG2-CG2 4.42Å; V1341-I1351 CarbonylContact C-O 3.54Å; V1341-I1351 WeakPolarHBondContact CA-O 3.4Å; V1341-F1352 HydrophobicContact CB-CB 4.48Å; V1341-F1352 HydrophobicContact CG2-CB 4.27Å; V1341-F1362 HydrophobicContact CG2-CE1 4.31Å; V1341-F1362 HydrophobicContact CG2-CZ 4.4Å |
| 1342 | F | 88.8 | Confident | 84.6 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 108.2 | -178.6 | -55 | -89.5 | 0 | 0 | 0 | 109.5 | Q1340 G1350 I1351 I1353 L1381 A1382 W1384 | Q1340-F1342 HydrophobicContact CB-CE2 4.28Å; Q1340-F1342 HydrophobicContact CG-CD2 4.45Å; Q1340-F1342 HydrophobicContact CG-CE1 4.24Å; Q1340-F1342 HydrophobicContact CG-CE2 3.74Å; Q1340-F1342 HydrophobicContact CG-CZ 3.64Å; Q1340-F1342 VanDerWaalsContact NE2-CE1 3.29Å; F1342-G1350 CarbonylContact O-C 3.55Å; F1342-G1350 WeakPolarHBondContact O-CA 3.24Å; F1342-I1351 HydrophobicContact CB-CB 4.37Å; F1342-I1351 HydrophobicContact CD2-CG2 4.44Å; F1342-I1351 PolarHBondContact N-O 3.01Å; F1342-I1351 PolarHBondContact O-N 3.2Å; F1342-I1353 HydrophobicContact CE2-CD1 3.83Å; F1342-I1353 HydrophobicContact CE2-CG1 4.3Å; F1342-I1353 HydrophobicContact CZ-CD1 4.41Å; F1342-L1381 HydrophobicContact CE1-CD1 3.85Å; F1342-L1381 HydrophobicContact CE1-CG 4.48Å; F1342-L1381 HydrophobicContact CZ-CD1 4.19Å; F1342-A1382 HydrophobicContact CB-CB 4.18Å; F1342-A1382 HydrophobicContact CD1-CB 4.23Å; F1342-A1382 WeakPolarHBondContact CD1-O 3.44Å; F1342-A1382 HydrophobicContact CD2-CB 3.67Å; F1342-A1382 HydrophobicContact CE1-CB 4.49Å; F1342-A1382 WeakPolarHBondContact CE1-O 3.49Å; F1342-A1382 HydrophobicContact CE2-CB 3.96Å; F1342-A1382 HydrophobicContact CG-CB 3.79Å; F1342-A1382 HydrophobicContact CZ-CB 4.35Å; F1342-W1384 PolarHBondContact O-NE1 3.33Å |
| 1343 | V | 88.8 | Confident | 85.1 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 146.4 | -178.2 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | S1303 N1305 A1310 Y1320 W1384 | S1303-V1343 PolarHBondContact OG-N 2.87Å; N1305-V1343 HydrophobicContact CB-CG1 4.14Å; A1310-V1343 HydrophobicContact CB-CG2 3.39Å; Y1320-V1343 HydrophobicContact CE1-CG1 3.87Å; Y1320-V1343 HydrophobicContact CE1-CG2 4.08Å; V1343-W1384 VanDerWaalsContact C-CD1 3.47Å |
| 1344 | Q | 85.6 | Confident | 85.4 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | trans | -63.8 | 130.2 | 175 | -168 | 179.3 | 31.6 | 0 | 0 | 111.4 | N1305 F1346 G1347 K1349 W1384 K1391 D1392 | N1305-Q1344 WeakPolarHBondContact CB-O 3.44Å; Q1344-F1346 VanDerWaalsContact C-N 3.28Å; Q1344-F1346 PolarHBondContact O-N 3.32Å; Q1344-G1347 PolarHBondContact O-N 2.87Å; Q1344-K1349 HydrophobicContact CB-CB 4.47Å; Q1344-K1349 VanDerWaalsContact CB-O 3.31Å; Q1344-K1349 WeakPolarHBondContact CB-O 3.33Å; Q1344-K1349 PolarHBondContact N-O 3.43Å; Q1344-W1384 HydrophobicContact CB-CD2 4.02Å; Q1344-W1384 HydrophobicContact CB-CE3 4.33Å; Q1344-W1384 HydrophobicContact CB-CG 4.27Å; Q1344-W1384 HydrophobicContact CG-CD2 4.14Å; Q1344-W1384 HydrophobicContact CG-CE3 4.03Å; Q1344-W1384 HydrophobicContact CG-CG 4.47Å; Q1344-K1391 PolarHBondContact NE2-O 2.87Å; Q1344-D1392 PolarHBondContact NE2-OD1 3.11Å | ||
| 1345 | P | 76 | Confident | 85.3 | Confident | 35 Ų | 35 | 31.5 Ų | 31.5 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35.2 | -176.3 | -27.6 | 32.7 | 0 | 0 | 0 | 114.9 | W1384 | P1345-W1384 VanDerWaalsContact CD-CB 3.43Å; P1345-W1384 HydrophobicContact CG-CB 4.25Å |
| 1346 | F | 72.7 | Confident | 85.3 | Confident | 118 Ų | 118 | 32.2 Ų | 32.2 | 52% | 0.518 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 28.8 | -176.2 | -61.2 | -73.8 | 0 | 0 | 0 | 113.2 | Q1344 V1386 P1388 | Q1344-F1346 VanDerWaalsContact C-N 3.28Å; Q1344-F1346 PolarHBondContact O-N 3.32Å; F1346-V1386 HydrophobicContact CE2-CG1 4.31Å; F1346-V1386 VanDerWaalsContact CE2-O 3.26Å; F1346-V1386 WeakPolarHBondContact CE2-O 3.37Å; F1346-P1388 HydrophobicContact CD2-CG 4.36Å; F1346-P1388 HydrophobicContact CE2-CG 4.4Å |
| 1347 | G | 77.2 | Confident | 85.1 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 17% | 0.165 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -161.4 | -172.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1305 Q1344 | N1305-G1347 PolarHBondContact ND2-O 2.89Å; Q1344-G1347 PolarHBondContact O-N 2.87Å |
| 1348 | V | 82.1 | Confident | 85.1 | Confident | 37 Ų | 37 | 38.2 Ų | 38.2 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -100 | -18.3 | -177.9 | -90.2 | 0 | 0 | 0 | 0 | 113.2 | F1308 Y1320 P1364 V1365 | F1308-V1348 HydrophobicContact CD2-CG1 4.41Å; F1308-V1348 HydrophobicContact CE2-CG1 3.65Å; F1308-V1348 HydrophobicContact CZ-CG1 4.02Å; Y1320-V1348 PolarHBondContact OH-O 3.29Å; V1348-P1364 HydrophobicContact CB-CG 3.95Å; V1348-P1364 WeakPolarHBondContact O-CD 3.21Å; V1348-P1364 VanDerWaalsContact O-CG 3.27Å; V1348-P1364 WeakPolarHBondContact O-CG 3.36Å; V1348-V1365 HydrophobicContact CB-CG2 4.44Å; V1348-V1365 HydrophobicContact CG2-CG2 3.83Å |
| 1349 | K | 87.2 | Confident | 85.1 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 4% | 0.039 | 20% | 0.196 | C | C | . | . | trans | -59.8 | 151 | 177.9 | -63.3 | 176.3 | 178.6 | 172.6 | 0 | 111 | Q1344 F1362 D1363 W1384 D1392 F1407 | Q1344-K1349 HydrophobicContact CB-CB 4.47Å; Q1344-K1349 VanDerWaalsContact CB-O 3.31Å; Q1344-K1349 WeakPolarHBondContact CB-O 3.33Å; Q1344-K1349 PolarHBondContact N-O 3.43Å; K1349-F1362 WeakPolarHBondContact CA-O 3.26Å; K1349-D1363 HydrophobicContact CG-CB 4.18Å; K1349-W1384 HydrophobicContact CB-CH2 3.99Å; K1349-W1384 HydrophobicContact CB-CZ2 4.21Å; K1349-D1392 IonicContact NZ-OD1 3.19Å; K1349-D1392 PolarHBondContact NZ-OD1 3.31Å; K1349-D1392 IonicContact NZ-OD2 2.77Å; K1349-D1392 PolarHBondContact NZ-OD2 3.42Å; K1349-F1407 HydrophobicContact CD-CD1 3.9Å; K1349-F1407 HydrophobicContact CD-CE1 4.24Å; K1349-F1407 HydrophobicContact CD-CG 4.17Å; K1349-F1407 VanDerWaalsContact NZ-CD1 3.32Å; K1349-F1407 PolarHBondContact NZ-O 3.5Å | ||
| 1350 | G | 88.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 167.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1342 F1362 | F1342-G1350 CarbonylContact O-C 3.55Å; F1342-G1350 WeakPolarHBondContact O-CA 3.24Å; G1350-F1362 VanDerWaalsContact C-CD1 3.42Å; G1350-F1362 VanDerWaalsContact CA-CE1 3.43Å; G1350-F1362 PolarHBondContact N-O 2.99Å; G1350-F1362 WeakPolarHBondContact O-CD1 3.25Å; G1350-F1362 PolarHBondContact O-N 3.38Å |
| 1351 | I | 90.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136 | 169.5 | -65.4 | 153.9 | 0 | 0 | 0 | 106.7 | V1341 F1342 L1359 H1360 A1361 A1382 W1384 F1394 | V1341-I1351 CarbonylContact C-O 3.54Å; V1341-I1351 WeakPolarHBondContact CA-O 3.4Å; F1342-I1351 HydrophobicContact CB-CB 4.37Å; F1342-I1351 HydrophobicContact CD2-CG2 4.44Å; F1342-I1351 PolarHBondContact N-O 3.01Å; F1342-I1351 PolarHBondContact O-N 3.2Å; I1351-L1359 HydrophobicContact CG2-CD2 3.84Å; I1351-H1360 CarbonylContact C-O 3.51Å; I1351-H1360 WeakPolarHBondContact CA-O 3.38Å; I1351-A1361 HydrophobicContact CG1-CB 4.24Å; I1351-A1382 HydrophobicContact CB-CB 4.29Å; I1351-A1382 HydrophobicContact CD1-CB 3.92Å; I1351-A1382 HydrophobicContact CG2-CB 4.01Å; I1351-W1384 HydrophobicContact CD1-CD2 4.49Å; I1351-W1384 HydrophobicContact CD1-CH2 4.33Å; I1351-W1384 HydrophobicContact CD1-CZ2 3.68Å; I1351-W1384 HydrophobicContact CG1-CH2 4.46Å; I1351-W1384 HydrophobicContact CG1-CZ2 3.69Å; I1351-F1394 HydrophobicContact CD1-CB 3.96Å; I1351-F1394 HydrophobicContact CD1-CD1 4.05Å; I1351-F1394 HydrophobicContact CD1-CD2 3.22Å; I1351-F1394 HydrophobicContact CD1-CE1 4.31Å; I1351-F1394 HydrophobicContact CD1-CE2 3.52Å; I1351-F1394 HydrophobicContact CD1-CG 3.48Å; I1351-F1394 VanDerWaalsContact CD1-CG 3.48Å; I1351-F1394 HydrophobicContact CD1-CZ 4.04Å; I1351-F1394 HydrophobicContact CG1-CD2 4.42Å; I1351-F1394 HydrophobicContact CG1-CE2 4.32Å |
| 1352 | F | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 156.4 | 170.5 | 68.2 | -99.8 | 0 | 0 | 0 | 111.6 | H1334 I1338 Q1340 V1341 D1354 H1360 F1362 | H1334-F1352 HydrophobicContact CB-CE2 4.27Å; H1334-F1352 HydrophobicContact CB-CZ 4.06Å; H1334-F1352 AromaticContact CD2-CE2 3.68Å; H1334-F1352 AromaticContact CG-CE2 3.73Å; H1334-F1352 AromaticContact CG-CZ 3.69Å; H1334-F1352 AromaticContact ND1-CE2 3.98Å; H1334-F1352 AromaticContact ND1-CZ 3.66Å; H1334-F1352 AromaticContact NE2-CE2 3.95Å; I1338-F1352 HydrophobicContact CD1-CD1 4.37Å; I1338-F1352 HydrophobicContact CD1-CD2 4Å; I1338-F1352 HydrophobicContact CD1-CE2 4.29Å; I1338-F1352 HydrophobicContact CD1-CG 4.05Å; I1338-F1352 HydrophobicContact CG1-CD2 3.84Å; I1338-F1352 HydrophobicContact CG1-CE2 4.23Å; I1338-F1352 HydrophobicContact CG1-CG 4.3Å; I1338-F1352 HydrophobicContact CG2-CB 3.8Å; I1338-F1352 HydrophobicContact CG2-CD2 4.34Å; I1338-F1352 HydrophobicContact CG2-CG 4.31Å; Q1340-F1352 CarbonylContact O-C 3.56Å; Q1340-F1352 WeakPolarHBondContact O-CA 3.5Å; Q1340-F1352 WeakPolarHBondContact O-CB 3.47Å; V1341-F1352 HydrophobicContact CB-CB 4.48Å; V1341-F1352 HydrophobicContact CG2-CB 4.27Å; F1352-D1354 HydrophobicContact CE2-CB 4.42Å; F1352-H1360 HydrophobicContact CD1-CB 4.15Å; F1352-H1360 HydrophobicContact CD2-CB 4.08Å; F1352-H1360 HydrophobicContact CE1-CB 3.65Å; F1352-H1360 HydrophobicContact CE2-CB 3.58Å; F1352-H1360 AromaticContact CE2-CD2 3.49Å; F1352-H1360 VanDerWaalsContact CE2-CD2 3.49Å; F1352-H1360 WeakPolarHBondContact CE2-CD2 3.28Å; F1352-H1360 AromaticContact CE2-CG 3.66Å; F1352-H1360 HydrophobicContact CG-CB 4.34Å; F1352-H1360 HydrophobicContact CZ-CB 3.33Å; F1352-H1360 AromaticContact CZ-CD2 3.96Å; F1352-H1360 AromaticContact CZ-CG 3.64Å; F1352-H1360 PolarHBondContact N-O 3.4Å; F1352-H1360 PolarHBondContact O-N 3.13Å; F1352-F1362 AromaticContact CD1-CD1 3.37Å; F1352-F1362 HydrophobicContact CD1-CD1 3.37Å; F1352-F1362 AromaticContact CD1-CE1 3.64Å; F1352-F1362 HydrophobicContact CD1-CE1 3.64Å; F1352-F1362 HydrophobicContact CD1-CG 4.22Å; F1352-F1362 HydrophobicContact CE1-CB 4.33Å; F1352-F1362 AromaticContact CE1-CD1 3.78Å; F1352-F1362 HydrophobicContact CE1-CD1 3.78Å; F1352-F1362 HydrophobicContact CE1-CE1 4.41Å; F1352-F1362 HydrophobicContact CE1-CG 4.2Å |
| 1353 | I | 89.1 | Confident | 85.2 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.2 | 172.5 | -58.7 | 167.5 | 0 | 0 | 0 | 106.9 | V1339 Q1340 F1342 T1358 L1359 P1380 | V1339-I1353 PolarHBondContact N-O 2.9Å; Q1340-I1353 HydrophobicContact CB-CD1 4.37Å; Q1340-I1353 PolarHBondContact N-O 3.18Å; Q1340-I1353 PolarHBondContact O-N 2.79Å; F1342-I1353 HydrophobicContact CE2-CD1 3.83Å; F1342-I1353 HydrophobicContact CE2-CG1 4.3Å; F1342-I1353 HydrophobicContact CZ-CD1 4.41Å; I1353-T1358 WeakPolarHBondContact CA-O 3.34Å; I1353-L1359 HydrophobicContact CD1-CD2 4.13Å; I1353-L1359 HydrophobicContact CG1-CD2 3.51Å; I1353-L1359 HydrophobicContact CG1-CG 4.11Å; I1353-P1380 HydrophobicContact CD1-CG 3.83Å; I1353-P1380 VanDerWaalsContact CD1-O 3.25Å; I1353-P1380 WeakPolarHBondContact CD1-O 3.37Å; I1353-P1380 HydrophobicContact CG1-CG 4.47Å |
| 1354 | D | 87.6 | Confident | 84.6 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 177.8 | 177.5 | 84.8 | -20 | 0 | 0 | 0 | 112.5 | H1334 C1336 A1337 F1352 K1356 R1357 T1358 | H1334-D1354 IonicContact NE2-OD2 2.71Å; C1336-D1354 HydrophobicContact CB-CB 4.01Å; C1336-D1354 WeakPolarHBondContact CB-OD2 2.98Å; A1337-D1354 CarbonylContact O-C 3.52Å; A1337-D1354 WeakPolarHBondContact O-CA 3.42Å; F1352-D1354 HydrophobicContact CE2-CB 4.42Å; D1354-K1356 PolarHBondContact O-N 3.09Å; D1354-K1356 WeakPolarHBondContact OD1-CA 3.27Å; D1354-K1356 WeakPolarHBondContact OD1-CB 3.36Å; D1354-K1356 PolarHBondContact OD1-N 2.99Å; D1354-R1357 WeakPolarHBondContact O-CA 3.39Å; D1354-R1357 PolarHBondContact O-N 3.35Å; D1354-R1357 PolarHBondContact OD1-N 3.32Å; D1354-T1358 PolarHBondContact N-O 2.87Å; D1354-T1358 VanDerWaalsContact N-O 3.1Å; D1354-T1358 PolarHBondContact OD1-N 3.45Å; D1354-T1358 PolarHBondContact OD1-OG1 3.36Å; D1354-T1358 PolarHBondContact OD2-OG1 2.81Å |
| 1355 | S | 85.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 47% | 0.469 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -16.6 | 179.6 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | A1337 R1357 | A1337-S1355 WeakPolarHBondContact O-CB 3.4Å; A1337-S1355 PolarHBondContact O-N 2.94Å; S1355-R1357 VanDerWaalsContact C-N 3.26Å |
| 1356 | K | 84.1 | Confident | 84 | Confident | 147 Ų | 147 | 36 Ų | 36 | 64% | 0.639 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1.1 | 170.6 | -61 | 176 | 178 | 168.5 | 0 | 112.5 | C1336 D1354 T1358 | C1336-K1356 VanDerWaalsContact SG-CE 3.51Å; D1354-K1356 PolarHBondContact O-N 3.09Å; D1354-K1356 WeakPolarHBondContact OD1-CA 3.27Å; D1354-K1356 WeakPolarHBondContact OD1-CB 3.36Å; D1354-K1356 PolarHBondContact OD1-N 2.99Å; K1356-T1358 HydrophobicContact CB-CG2 4.18Å; K1356-T1358 PolarHBondContact O-N 2.89Å |
| 1357 | R | 78.5 | Confident | 84 | Confident | 135 Ų | 135 | 37.9 Ų | 37.9 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | trans | 64.9 | 23.2 | -174.5 | -56 | -177 | 170.7 | 178 | -3.7 | 113.8 | D1354 S1355 D1378 | D1354-R1357 WeakPolarHBondContact O-CA 3.39Å; D1354-R1357 PolarHBondContact O-N 3.35Å; D1354-R1357 PolarHBondContact OD1-N 3.32Å; S1355-R1357 VanDerWaalsContact C-N 3.26Å; R1357-D1378 IonicContact CZ-OD1 3.07Å; R1357-D1378 IonicContact CZ-OD2 3.75Å; R1357-D1378 IonicContact NH1-OD1 3.11Å; R1357-D1378 PolarHBondContact NH1-OD1 3.1Å; R1357-D1378 IonicContact NH1-OD2 3.48Å; R1357-D1378 PolarHBondContact NH1-OD2 2.92Å | ||
| 1358 | T | 84.8 | Confident | 84.1 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 22% | 0.221 | 21% | 0.209 | C | C | . | . | trans | -82.6 | 140.6 | 170 | 63 | 0 | 0 | 0 | 0 | 109.6 | I1353 D1354 K1356 H1360 | I1353-T1358 WeakPolarHBondContact CA-O 3.34Å; D1354-T1358 PolarHBondContact N-O 2.87Å; D1354-T1358 VanDerWaalsContact N-O 3.1Å; D1354-T1358 PolarHBondContact OD1-N 3.45Å; D1354-T1358 PolarHBondContact OD1-OG1 3.36Å; D1354-T1358 PolarHBondContact OD2-OG1 2.81Å; K1356-T1358 HydrophobicContact CB-CG2 4.18Å; K1356-T1358 PolarHBondContact O-N 2.89Å; T1358-H1360 PolarHBondContact OG1-NE2 3.49Å | ||
| 1359 | L | 88.5 | Confident | 84.3 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130 | -179.4 | -84.5 | 149 | 0 | 0 | 0 | 109.4 | I1351 I1353 I1372 F1376 P1380 I1396 | I1351-L1359 HydrophobicContact CG2-CD2 3.84Å; I1353-L1359 HydrophobicContact CD1-CD2 4.13Å; I1353-L1359 HydrophobicContact CG1-CD2 3.51Å; I1353-L1359 HydrophobicContact CG1-CG 4.11Å; L1359-I1372 HydrophobicContact CB-CB 4.09Å; L1359-I1372 HydrophobicContact CB-CD1 4.24Å; L1359-I1372 HydrophobicContact CB-CG1 4.43Å; L1359-I1372 PolarHBondContact O-N 3.48Å; L1359-F1376 HydrophobicContact CD1-CB 4.18Å; L1359-F1376 HydrophobicContact CD1-CD2 3.14Å; L1359-F1376 HydrophobicContact CD1-CE2 3.56Å; L1359-F1376 HydrophobicContact CD1-CG 3.76Å; L1359-F1376 HydrophobicContact CD1-CZ 4.47Å; L1359-P1380 HydrophobicContact CD1-CB 3.89Å; L1359-P1380 HydrophobicContact CD1-CG 3.63Å; L1359-P1380 HydrophobicContact CD2-CG 4.28Å; L1359-P1380 HydrophobicContact CG-CG 4.1Å; L1359-I1396 HydrophobicContact CD1-CD1 4.04Å; L1359-I1396 HydrophobicContact CD1-CG2 3.97Å; L1359-I1396 HydrophobicContact CD2-CD1 4.07Å; L1359-I1396 HydrophobicContact CG-CD1 4.49Å |
| 1360 | H | 89.9 | Confident | 84.2 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.8 | 179.2 | -66.4 | -86.4 | 0 | 0 | 0 | 109.8 | H1334 I1351 F1352 T1358 L1370 | H1334-H1360 AromaticContact CE1-CE1 4Å; H1334-H1360 AromaticContact CE1-NE2 3.87Å; H1334-H1360 AromaticContact NE2-NE2 3.99Å; I1351-H1360 CarbonylContact C-O 3.51Å; I1351-H1360 WeakPolarHBondContact CA-O 3.38Å; F1352-H1360 HydrophobicContact CD1-CB 4.15Å; F1352-H1360 HydrophobicContact CD2-CB 4.08Å; F1352-H1360 HydrophobicContact CE1-CB 3.65Å; F1352-H1360 HydrophobicContact CE2-CB 3.58Å; F1352-H1360 AromaticContact CE2-CD2 3.49Å; F1352-H1360 VanDerWaalsContact CE2-CD2 3.49Å; F1352-H1360 WeakPolarHBondContact CE2-CD2 3.28Å; F1352-H1360 AromaticContact CE2-CG 3.66Å; F1352-H1360 HydrophobicContact CG-CB 4.34Å; F1352-H1360 HydrophobicContact CZ-CB 3.33Å; F1352-H1360 AromaticContact CZ-CD2 3.96Å; F1352-H1360 AromaticContact CZ-CG 3.64Å; F1352-H1360 PolarHBondContact N-O 3.4Å; F1352-H1360 PolarHBondContact O-N 3.13Å; T1358-H1360 PolarHBondContact OG1-NE2 3.49Å; H1360-L1370 CarbonylContact C-O 3.47Å; H1360-L1370 VanDerWaalsContact CA-O 3.31Å; H1360-L1370 WeakPolarHBondContact CA-O 3.29Å |
| 1361 | A | 89.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109 | I1351 L1370 I1372 F1394 F1407 V1417 | I1351-A1361 HydrophobicContact CG1-CB 4.24Å; A1361-L1370 PolarHBondContact N-O 2.86Å; A1361-L1370 PolarHBondContact O-N 3.29Å; A1361-I1372 HydrophobicContact CB-CD1 4.28Å; A1361-I1372 HydrophobicContact CB-CG1 4.48Å; A1361-F1394 HydrophobicContact CB-CZ 4.43Å; A1361-F1407 HydrophobicContact CB-CD2 3.78Å; A1361-F1407 HydrophobicContact CB-CE2 3.85Å; A1361-V1417 HydrophobicContact CB-CG2 3.83Å |
| 1362 | F | 87.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.9 | -175.9 | 73.5 | -80.7 | 0 | 0 | 0 | 112.2 | V1318 Y1320 Q1332 V1341 K1349 G1350 F1352 P1364 Y1368 C1369 | V1318-F1362 HydrophobicContact CG1-CZ 4.16Å; Y1320-F1362 AromaticContact CE2-CE2 3.81Å; Y1320-F1362 HydrophobicContact CE2-CE2 3.81Å; Y1320-F1362 HydrophobicContact CE2-CZ 4.02Å; Y1320-F1362 WeakPolarHBondContact OH-CE2 3.34Å; Y1320-F1362 VanDerWaalsContact OH-CZ 3.27Å; Y1320-F1362 WeakPolarHBondContact OH-CZ 3.45Å; Q1332-F1362 HydrophobicContact CB-CD2 4.46Å; Q1332-F1362 HydrophobicContact CG-CD2 4.21Å; V1341-F1362 HydrophobicContact CG2-CE1 4.31Å; V1341-F1362 HydrophobicContact CG2-CZ 4.4Å; K1349-F1362 WeakPolarHBondContact CA-O 3.26Å; G1350-F1362 VanDerWaalsContact C-CD1 3.42Å; G1350-F1362 VanDerWaalsContact CA-CE1 3.43Å; G1350-F1362 PolarHBondContact N-O 2.99Å; G1350-F1362 WeakPolarHBondContact O-CD1 3.25Å; G1350-F1362 PolarHBondContact O-N 3.38Å; F1352-F1362 AromaticContact CD1-CD1 3.37Å; F1352-F1362 HydrophobicContact CD1-CD1 3.37Å; F1352-F1362 AromaticContact CD1-CE1 3.64Å; F1352-F1362 HydrophobicContact CD1-CE1 3.64Å; F1352-F1362 HydrophobicContact CD1-CG 4.22Å; F1352-F1362 HydrophobicContact CE1-CB 4.33Å; F1352-F1362 AromaticContact CE1-CD1 3.78Å; F1352-F1362 HydrophobicContact CE1-CD1 3.78Å; F1352-F1362 HydrophobicContact CE1-CE1 4.41Å; F1352-F1362 HydrophobicContact CE1-CG 4.2Å; F1362-P1364 HydrophobicContact CD2-CB 4.39Å; F1362-P1364 HydrophobicContact CE2-CB 4.25Å; F1362-P1364 HydrophobicContact CE2-CG 4.24Å; F1362-Y1368 CarbonylContact C-O 3.51Å; F1362-Y1368 WeakPolarHBondContact CA-O 3.21Å; F1362-C1369 HydrophobicContact CB-CB 4.21Å |
| 1363 | D | 85.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -122 | 107.5 | 169.5 | 177.9 | 45.2 | 0 | 0 | 0 | 109.9 | K1349 V1365 S1366 E1367 Y1368 F1407 K1409 | K1349-D1363 HydrophobicContact CG-CB 4.18Å; D1363-V1365 PolarHBondContact O-N 3.26Å; D1363-S1366 WeakPolarHBondContact CB-OG 3.3Å; D1363-S1366 VanDerWaalsContact CG-OG 3.32Å; D1363-S1366 PolarHBondContact O-N 3.12Å; D1363-S1366 WeakPolarHBondContact OD2-CB 3.3Å; D1363-S1366 PolarHBondContact OD2-N 3.4Å; D1363-S1366 PolarHBondContact OD2-OG 2.85Å; D1363-E1367 PolarHBondContact O-N 2.98Å; D1363-E1367 VanDerWaalsContact O-N 3.13Å; D1363-Y1368 PolarHBondContact N-O 2.95Å; D1363-F1407 HydrophobicContact CB-CZ 4.27Å; D1363-K1409 VanDerWaalsContact CG-NZ 3.28Å; D1363-K1409 IonicContact OD1-NZ 2.77Å; D1363-K1409 WeakPolarHBondContact OD2-CE 3.43Å; D1363-K1409 IonicContact OD2-NZ 3.83Å; D1363-K1409 PolarHBondContact OD2-NZ 3.37Å | ||
| 1364 | P | 76.4 | Confident | 83 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 8% | 0.078 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.4 | -172.2 | 28.6 | -35.4 | 0 | 0 | 0 | 113.7 | Y1320 V1348 F1362 | Y1320-P1364 HydrophobicContact CE2-CB 4.35Å; Y1320-P1364 HydrophobicContact CE2-CG 4.1Å; V1348-P1364 HydrophobicContact CB-CG 3.95Å; V1348-P1364 WeakPolarHBondContact O-CD 3.21Å; V1348-P1364 VanDerWaalsContact O-CG 3.27Å; V1348-P1364 WeakPolarHBondContact O-CG 3.36Å; F1362-P1364 HydrophobicContact CD2-CB 4.39Å; F1362-P1364 HydrophobicContact CE2-CB 4.25Å; F1362-P1364 HydrophobicContact CE2-CG 4.24Å |
| 1365 | V | 78.7 | Confident | 82.2 | Confident | 104 Ų | 104 | 68 Ų | 68 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -34.6 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | V1348 D1363 | V1348-V1365 HydrophobicContact CB-CG2 4.44Å; V1348-V1365 HydrophobicContact CG2-CG2 3.83Å; D1363-V1365 PolarHBondContact O-N 3.26Å |
| 1366 | S | 70.5 | Confident | 81.6 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 30% | 0.301 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 2.3 | -178.1 | 57 | 0 | 0 | 0 | 0 | 113.6 | D1363 Y1368 | D1363-S1366 WeakPolarHBondContact CB-OG 3.3Å; D1363-S1366 VanDerWaalsContact CG-OG 3.32Å; D1363-S1366 PolarHBondContact O-N 3.12Å; D1363-S1366 WeakPolarHBondContact OD2-CB 3.3Å; D1363-S1366 PolarHBondContact OD2-N 3.4Å; D1363-S1366 PolarHBondContact OD2-OG 2.85Å; S1366-Y1368 PolarHBondContact O-N 3.22Å; S1366-Y1368 VanDerWaalsContact OG-CD2 3.25Å; S1366-Y1368 WeakPolarHBondContact OG-CD2 3.15Å |
| 1367 | E | 71.9 | Confident | 80.8 | Confident | 159 Ų | 159 | 62.1 Ų | 62.1 | 74% | 0.743 | 31% | 0.31 | S | S | * | . | trans | 60.9 | 0.4 | -176.8 | -55.9 | -174.1 | 165.8 | 0 | 0 | 115.2 | D1363 C1369 | D1363-E1367 PolarHBondContact O-N 2.98Å; D1363-E1367 VanDerWaalsContact O-N 3.13Å; E1367-C1369 PolarHBondContact O-N 3.41Å | ||
| 1368 | Y | 79 | Confident | 80 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | trans | -64 | 122.1 | 174.3 | -71.9 | -62.9 | 0 | 0 | 0 | 110.6 | F1362 D1363 S1366 T1415 | F1362-Y1368 CarbonylContact C-O 3.51Å; F1362-Y1368 WeakPolarHBondContact CA-O 3.21Å; D1363-Y1368 PolarHBondContact N-O 2.95Å; S1366-Y1368 PolarHBondContact O-N 3.22Å; S1366-Y1368 VanDerWaalsContact OG-CD2 3.25Å; S1366-Y1368 WeakPolarHBondContact OG-CD2 3.15Å; Y1368-T1415 HydrophobicContact CD2-CG2 4.42Å | ||
| 1369 | C | 85.8 | Confident | 79.1 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 30% | 0.297 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 109.1 | 170 | -173.8 | 0 | 0 | 0 | 0 | 107.4 | F1362 E1367 | F1362-C1369 HydrophobicContact CB-CB 4.21Å; E1367-C1369 PolarHBondContact O-N 3.41Å |
| 1370 | L | 86.3 | Confident | 78.5 | Confident | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.6 | -174.7 | -62.4 | 173.5 | 0 | 0 | 0 | 109.5 | H1360 A1361 T1415 V1417 | H1360-L1370 CarbonylContact C-O 3.47Å; H1360-L1370 VanDerWaalsContact CA-O 3.31Å; H1360-L1370 WeakPolarHBondContact CA-O 3.29Å; A1361-L1370 PolarHBondContact N-O 2.86Å; A1361-L1370 PolarHBondContact O-N 3.29Å; L1370-T1415 HydrophobicContact CD1-CG2 4.01Å; L1370-T1415 WeakPolarHBondContact CD1-O 3.38Å; L1370-V1417 HydrophobicContact CB-CG2 4.31Å; L1370-V1417 HydrophobicContact CD1-CG2 4.11Å |
| 1371 | E | 88.2 | Confident | 77.8 | Confident | 110 Ų | 110 | 66.8 Ų | 66.8 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 136.7 | 171.9 | -172.2 | 169.4 | 174.9 | 0 | 0 | 109.7 | E1373 | E1371-E1373 PolarHBondContact O-N 3.42Å |
| 1372 | I | 87.6 | Confident | 77.3 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.046 | 35% | 0.345 | C | S | . | . | trans | -91.3 | 99.4 | 173.9 | -55.8 | -179.5 | 0 | 0 | 0 | 106.6 | L1359 A1361 E1374 F1376 F1394 I1396 F1405 V1417 | L1359-I1372 HydrophobicContact CB-CB 4.09Å; L1359-I1372 HydrophobicContact CB-CD1 4.24Å; L1359-I1372 HydrophobicContact CB-CG1 4.43Å; L1359-I1372 PolarHBondContact O-N 3.48Å; A1361-I1372 HydrophobicContact CB-CD1 4.28Å; A1361-I1372 HydrophobicContact CB-CG1 4.48Å; I1372-E1374 HydrophobicContact CG2-CB 4.27Å; I1372-E1374 PolarHBondContact O-N 2.88Å; I1372-F1376 HydrophobicContact CG2-CE2 4.17Å; I1372-F1394 HydrophobicContact CD1-CE2 3.76Å; I1372-F1394 HydrophobicContact CD1-CZ 3.87Å; I1372-I1396 HydrophobicContact CD1-CD1 3.5Å; I1372-I1396 VanDerWaalsContact CD1-CD1 3.5Å; I1372-I1396 HydrophobicContact CG2-CD1 4.38Å; I1372-F1405 HydrophobicContact CG2-CD1 4.27Å; I1372-F1405 HydrophobicContact CG2-CE1 3.65Å; I1372-F1405 HydrophobicContact CG2-CE2 4.49Å; I1372-F1405 HydrophobicContact CG2-CZ 3.78Å; I1372-V1417 HydrophobicContact CG1-CG1 4.34Å | ||
| 1373 | E | 79 | Confident | 76.6 | Confident | 180 Ų | 180 | 69.5 Ų | 69.5 | 84% | 0.841 | 36% | 0.359 | S | S | * | . | trans | -68.9 | 14.2 | -172.1 | -58.6 | -175.3 | 168.4 | 0 | 0 | 115 | E1371 | E1371-E1373 PolarHBondContact O-N 3.42Š| ||
| 1374 | E | 78 | Confident | 76.3 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -93.4 | 133.6 | -179.2 | -75.8 | -68.9 | 152.9 | 0 | 0 | 111.3 | I1372 F1376 K1403 F1405 | I1372-E1374 HydrophobicContact CG2-CB 4.27Å; I1372-E1374 PolarHBondContact O-N 2.88Å; E1374-F1376 HydrophobicContact CB-CD2 4.37Å; E1374-F1376 HydrophobicContact CB-CE2 3.66Å; E1374-F1376 HydrophobicContact CB-CZ 4.08Å; E1374-F1376 WeakPolarHBondContact O-CD2 3.42Å; E1374-F1376 WeakPolarHBondContact O-CE2 3.47Å; E1374-F1376 PolarHBondContact O-N 3.39Å; E1374-K1403 HydrophobicContact CB-CD 4.27Å; E1374-K1403 HydrophobicContact CG-CD 4.38Å; E1374-K1403 IonicContact OE2-NZ 3.73Å; E1374-K1403 PolarHBondContact OE2-NZ 3.35Å; E1374-F1405 HydrophobicContact CB-CZ 4.13Å; E1374-F1405 HydrophobicContact CG-CE1 3.93Å; E1374-F1405 HydrophobicContact CG-CZ 3.9Å |
| 1375 | D | 71.3 | Confident | 75.9 | Confident | 148 Ų | 148 | 70.2 Ų | 70.2 | 79% | 0.791 | 36% | 0.361 | S | S | * | . | trans | -70.9 | 123.4 | 176.1 | -70.5 | -35.3 | 0 | 0 | 0 | 110.5 | K1403 | D1375-K1403 PolarHBondContact O-NZ 3.37Š| ||
| 1376 | F | 72.6 | Confident | 75.3 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | trans | -120.7 | 141 | 171.5 | -65.6 | -84.2 | 0 | 0 | 0 | 110.8 | L1359 I1372 E1374 P1380 I1396 D1398 K1403 F1405 | L1359-F1376 HydrophobicContact CD1-CB 4.18Å; L1359-F1376 HydrophobicContact CD1-CD2 3.14Å; L1359-F1376 HydrophobicContact CD1-CE2 3.56Å; L1359-F1376 HydrophobicContact CD1-CG 3.76Å; L1359-F1376 HydrophobicContact CD1-CZ 4.47Å; I1372-F1376 HydrophobicContact CG2-CE2 4.17Å; E1374-F1376 HydrophobicContact CB-CD2 4.37Å; E1374-F1376 HydrophobicContact CB-CE2 3.66Å; E1374-F1376 HydrophobicContact CB-CZ 4.08Å; E1374-F1376 WeakPolarHBondContact O-CD2 3.42Å; E1374-F1376 WeakPolarHBondContact O-CE2 3.47Å; E1374-F1376 PolarHBondContact O-N 3.39Å; F1376-P1380 HydrophobicContact CB-CB 3.94Å; F1376-P1380 HydrophobicContact CB-CG 4.12Å; F1376-P1380 HydrophobicContact CD1-CB 4.44Å; F1376-P1380 HydrophobicContact CG-CB 4.21Å; F1376-I1396 HydrophobicContact CD1-CB 4.34Å; F1376-I1396 HydrophobicContact CD1-CG2 3.55Å; F1376-I1396 HydrophobicContact CD2-CG2 4.26Å; F1376-I1396 HydrophobicContact CE1-CB 3.56Å; F1376-I1396 HydrophobicContact CE1-CG2 3.28Å; F1376-I1396 HydrophobicContact CE2-CB 4.37Å; F1376-I1396 HydrophobicContact CE2-CD1 4.06Å; F1376-I1396 HydrophobicContact CE2-CG2 4.02Å; F1376-I1396 HydrophobicContact CG-CG2 4.03Å; F1376-I1396 HydrophobicContact CZ-CB 3.58Å; F1376-I1396 HydrophobicContact CZ-CD1 3.94Å; F1376-I1396 HydrophobicContact CZ-CG1 4.33Å; F1376-I1396 HydrophobicContact CZ-CG2 3.53Å; F1376-D1398 HydrophobicContact CB-CB 4.34Å; F1376-D1398 HydrophobicContact CD1-CB 4.22Å; F1376-K1403 HydrophobicContact CE1-CB 3.96Å; F1376-K1403 HydrophobicContact CE1-CD 3.69Å; F1376-K1403 HydrophobicContact CE1-CG 4.02Å; F1376-K1403 HydrophobicContact CZ-CB 4.09Å; F1376-K1403 HydrophobicContact CZ-CD 3.75Å; F1376-K1403 HydrophobicContact CZ-CG 4.37Å; F1376-F1405 HydrophobicContact CE1-CE2 4.47Å; F1376-F1405 HydrophobicContact CE2-CE2 4.45Å; F1376-F1405 HydrophobicContact CE2-CZ 4.2Å; F1376-F1405 AromaticContact CZ-CE2 3.6Å; F1376-F1405 HydrophobicContact CZ-CE2 3.6Å; F1376-F1405 AromaticContact CZ-CZ 3.62Å; F1376-F1405 HydrophobicContact CZ-CZ 3.62Å | ||
| 1377 | T | 66.6 | Low | 75 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | trans | -83.5 | 156.3 | 177.9 | 57 | 0 | 0 | 0 | 0 | 113 | N1379 D1398 H1400 | T1377-N1379 PolarHBondContact O-N 3.49Å; T1377-D1398 WeakPolarHBondContact CB-OD2 3.47Å; T1377-D1398 PolarHBondContact N-OD2 3.17Å; T1377-D1398 WeakPolarHBondContact OG1-CB 3.36Å; T1377-D1398 PolarHBondContact OG1-OD2 3.49Å; T1377-H1400 PolarHBondContact OG1-CD2 2.89Å | ||
| 1378 | D | 61.3 | Low | 74.6 | Confident | 89 Ų | 89 | 69.6 Ų | 69.6 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -31.5 | 109 | -170 | -74.4 | 10.6 | 0 | 0 | 0 | 116.3 | R1357 | R1357-D1378 IonicContact CZ-OD1 3.07Å; R1357-D1378 IonicContact CZ-OD2 3.75Å; R1357-D1378 IonicContact NH1-OD1 3.11Å; R1357-D1378 PolarHBondContact NH1-OD1 3.1Å; R1357-D1378 IonicContact NH1-OD2 3.48Å; R1357-D1378 PolarHBondContact NH1-OD2 2.92Å |
| 1379 | N | 66.5 | Low | 73.5 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 64% | 0.642 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 77.8 | 68.3 | 177.8 | -56.6 | -15 | 0 | 0 | 0 | 115.2 | T1377 | T1377-N1379 PolarHBondContact O-N 3.49Š|
| 1380 | P | 76.7 | Confident | 72.4 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 5% | 0.045 | 35% | 0.348 | C | S | . | . | trans | -63.8 | 139.8 | 173.3 | 23.8 | -28.9 | 0 | 0 | 0 | 111.5 | I1353 L1359 F1376 I1396 S1397 | I1353-P1380 HydrophobicContact CD1-CG 3.83Å; I1353-P1380 VanDerWaalsContact CD1-O 3.25Å; I1353-P1380 WeakPolarHBondContact CD1-O 3.37Å; I1353-P1380 HydrophobicContact CG1-CG 4.47Å; L1359-P1380 HydrophobicContact CD1-CB 3.89Å; L1359-P1380 HydrophobicContact CD1-CG 3.63Å; L1359-P1380 HydrophobicContact CD2-CG 4.28Å; L1359-P1380 HydrophobicContact CG-CG 4.1Å; F1376-P1380 HydrophobicContact CB-CB 3.94Å; F1376-P1380 HydrophobicContact CB-CG 4.12Å; F1376-P1380 HydrophobicContact CD1-CB 4.44Å; F1376-P1380 HydrophobicContact CG-CB 4.21Å; P1380-I1396 HydrophobicContact CB-CG2 3.62Å; P1380-S1397 CarbonylContact C-O 3.59Å; P1380-S1397 VanDerWaalsContact CA-O 3.27Å; P1380-S1397 WeakPolarHBondContact CA-O 3.31Å | ||
| 1381 | L | 74.2 | Confident | 71.7 | Confident | 71 Ų | 71 | 69.5 Ų | 69.5 | 37% | 0.372 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.2 | 174.1 | -171.3 | 78.6 | 0 | 0 | 0 | 108.9 | F1342 L1383 I1396 S1397 M1431 | F1342-L1381 HydrophobicContact CE1-CD1 3.85Å; F1342-L1381 HydrophobicContact CE1-CG 4.48Å; F1342-L1381 HydrophobicContact CZ-CD1 4.19Å; L1381-L1383 HydrophobicContact CD2-CD1 4.34Å; L1381-L1383 HydrophobicContact CD2-CG 4.32Å; L1381-I1396 WeakPolarHBondContact O-CA 3.46Å; L1381-S1397 PolarHBondContact N-O 3.1Å; L1381-S1397 PolarHBondContact O-N 3.1Å; L1381-M1431 HydrophobicContact CD2-CE 4.36Å |
| 1382 | A | 79.2 | Confident | 71.1 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1342 I1351 V1395 I1396 | F1342-A1382 HydrophobicContact CB-CB 4.18Å; F1342-A1382 HydrophobicContact CD1-CB 4.23Å; F1342-A1382 WeakPolarHBondContact CD1-O 3.44Å; F1342-A1382 HydrophobicContact CD2-CB 3.67Å; F1342-A1382 HydrophobicContact CE1-CB 4.49Å; F1342-A1382 WeakPolarHBondContact CE1-O 3.49Å; F1342-A1382 HydrophobicContact CE2-CB 3.96Å; F1342-A1382 HydrophobicContact CG-CB 3.79Å; F1342-A1382 HydrophobicContact CZ-CB 4.35Å; I1351-A1382 HydrophobicContact CB-CB 4.29Å; I1351-A1382 HydrophobicContact CD1-CB 3.92Å; I1351-A1382 HydrophobicContact CG2-CB 4.01Å; A1382-V1395 CarbonylContact C-O 3.53Å; A1382-V1395 WeakPolarHBondContact CA-O 3.44Å; A1382-I1396 HydrophobicContact CB-CG1 4.23Å |
| 1383 | L | 74.3 | Confident | 70.5 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 120.8 | 174.2 | -68.8 | 177.9 | 0 | 0 | 0 | 109.7 | L1381 F1394 V1395 M1431 L1433 | L1381-L1383 HydrophobicContact CD2-CD1 4.34Å; L1381-L1383 HydrophobicContact CD2-CG 4.32Å; L1383-F1394 CarbonylContact O-C 3.48Å; L1383-F1394 VanDerWaalsContact O-CA 3.24Å; L1383-F1394 WeakPolarHBondContact O-CA 3.46Å; L1383-F1394 WeakPolarHBondContact O-CB 3.48Å; L1383-V1395 PolarHBondContact N-O 3.35Å; L1383-V1395 PolarHBondContact O-N 3.17Å; L1383-M1431 HydrophobicContact CD1-CE 3.59Å; L1383-M1431 HydrophobicContact CG-CE 4.47Å; L1383-L1433 HydrophobicContact CD1-CB 4.12Å; L1383-L1433 HydrophobicContact CD1-CD1 4.14Å; L1383-L1433 HydrophobicContact CD1-CG 4.41Å |
| 1384 | W | 77.6 | Confident | 70.4 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 6% | 0.064 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 148.4 | 172.6 | -72.6 | 99 | 0 | 0 | 0 | 111.2 | F1342 V1343 Q1344 P1345 K1349 I1351 V1386 F1394 | F1342-W1384 PolarHBondContact O-NE1 3.33Å; V1343-W1384 VanDerWaalsContact C-CD1 3.47Å; Q1344-W1384 HydrophobicContact CB-CD2 4.02Å; Q1344-W1384 HydrophobicContact CB-CE3 4.33Å; Q1344-W1384 HydrophobicContact CB-CG 4.27Å; Q1344-W1384 HydrophobicContact CG-CD2 4.14Å; Q1344-W1384 HydrophobicContact CG-CE3 4.03Å; Q1344-W1384 HydrophobicContact CG-CG 4.47Å; P1345-W1384 VanDerWaalsContact CD-CB 3.43Å; P1345-W1384 HydrophobicContact CG-CB 4.25Å; K1349-W1384 HydrophobicContact CB-CH2 3.99Å; K1349-W1384 HydrophobicContact CB-CZ2 4.21Å; I1351-W1384 HydrophobicContact CD1-CD2 4.49Å; I1351-W1384 HydrophobicContact CD1-CH2 4.33Å; I1351-W1384 HydrophobicContact CD1-CZ2 3.68Å; I1351-W1384 HydrophobicContact CG1-CH2 4.46Å; I1351-W1384 HydrophobicContact CG1-CZ2 3.69Å; W1384-V1386 PolarHBondContact O-N 3.47Å; W1384-F1394 HydrophobicContact CD2-CB 3.95Å; W1384-F1394 HydrophobicContact CE3-CB 3.75Å; W1384-F1394 HydrophobicContact CE3-CD1 4.14Å; W1384-F1394 HydrophobicContact CE3-CG 4.34Å; W1384-F1394 HydrophobicContact CG-CB 4.4Å; W1384-F1394 AromaticContact CH2-CD1 3.88Å; W1384-F1394 HydrophobicContact CH2-CD1 3.88Å; W1384-F1394 HydrophobicContact CH2-CE1 4.35Å; W1384-F1394 HydrophobicContact CZ3-CB 4.15Å; W1384-F1394 AromaticContact CZ3-CD1 3.63Å; W1384-F1394 HydrophobicContact CZ3-CD1 3.63Å; W1384-F1394 HydrophobicContact CZ3-CE1 4.44Å; W1384-F1394 HydrophobicContact CZ3-CG 4.25Å |
| 1385 | N | 68.9 | Low | 70.3 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | trans | -64.5 | 135.1 | 173 | -168.2 | 7.4 | 0 | 0 | 0 | 110.8 | Y1387 E1390 L1393 | N1385-Y1387 PolarHBondContact OD1-N 3.01Å; N1385-E1390 WeakPolarHBondContact CB-O 3.26Å; N1385-E1390 VanDerWaalsContact ND2-CB 3.32Å; N1385-E1390 WeakPolarHBondContact ND2-CB 3.47Å; N1385-E1390 PolarHBondContact ND2-O 3.13Å; N1385-E1390 VanDerWaalsContact ND2-O 3.09Å; N1385-L1393 HydrophobicContact CB-CB 3.98Å; N1385-L1393 WeakPolarHBondContact CB-O 3.49Å; N1385-L1393 PolarHBondContact N-O 2.81Å | ||
| 1386 | V | 66.1 | Low | 70.7 | Confident | 83 Ų | 83 | 47.8 Ų | 47.8 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | trans | -84.2 | -16.8 | 179.9 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | F1346 W1384 P1388 | F1346-V1386 HydrophobicContact CE2-CG1 4.31Å; F1346-V1386 VanDerWaalsContact CE2-O 3.26Å; F1346-V1386 WeakPolarHBondContact CE2-O 3.37Å; W1384-V1386 PolarHBondContact O-N 3.47Å; V1386-P1388 WeakPolarHBondContact O-CD 3.18Å | ||
| 1387 | Y | 63.1 | Low | 70.7 | Confident | 136 Ų | 136 | 46.5 Ų | 46.5 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | trans | -79.2 | 121.5 | -178.7 | -160 | -117 | 0 | 0 | 0 | 111.9 | N1385 S1389 E1390 K1391 | N1385-Y1387 PolarHBondContact OD1-N 3.01Å; Y1387-S1389 VanDerWaalsContact C-N 3.32Å; Y1387-S1389 WeakPolarHBondContact CD1-OG 3.46Å; Y1387-S1389 WeakPolarHBondContact CE1-OG 3.11Å; Y1387-S1389 PolarHBondContact O-N 3.4Å; Y1387-E1390 CarbonylContact O-C 3.55Å; Y1387-E1390 PolarHBondContact O-N 3.23Å; Y1387-K1391 PolarHBondContact O-N 3.47Å | ||
| 1388 | P | 63.8 | Low | 70.8 | Confident | 74 Ų | 74 | 44.8 Ų | 44.8 | 48% | 0.481 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -60.9 | -31 | -172 | -27 | 35.2 | 0 | 0 | 0 | 115.8 | F1346 V1386 E1390 | F1346-P1388 HydrophobicContact CD2-CG 4.36Å; F1346-P1388 HydrophobicContact CE2-CG 4.4Å; V1386-P1388 WeakPolarHBondContact O-CD 3.18Å; P1388-E1390 VanDerWaalsContact C-N 3.29Å; P1388-E1390 PolarHBondContact O-N 3.34Å |
| 1389 | S | 57.1 | Low | 70.9 | Confident | 65 Ų | 65 | 46.5 Ų | 46.5 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -73.3 | -23.4 | -178.6 | 71.8 | 0 | 0 | 0 | 0 | 113 | Y1387 | Y1387-S1389 VanDerWaalsContact C-N 3.32Å; Y1387-S1389 WeakPolarHBondContact CD1-OG 3.46Å; Y1387-S1389 WeakPolarHBondContact CE1-OG 3.11Å; Y1387-S1389 PolarHBondContact O-N 3.4Å |
| 1390 | E | 63.1 | Low | 70.9 | Confident | 26 Ų | 26 | 47 Ų | 47 | 12% | 0.121 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -121.7 | 35.9 | -178.5 | -69.7 | 174.9 | 178.3 | 0 | 0 | 109.7 | N1385 Y1387 P1388 D1392 L1393 Y1435 R1472 | N1385-E1390 WeakPolarHBondContact CB-O 3.26Å; N1385-E1390 VanDerWaalsContact ND2-CB 3.32Å; N1385-E1390 WeakPolarHBondContact ND2-CB 3.47Å; N1385-E1390 PolarHBondContact ND2-O 3.13Å; N1385-E1390 VanDerWaalsContact ND2-O 3.09Å; Y1387-E1390 CarbonylContact O-C 3.55Å; Y1387-E1390 PolarHBondContact O-N 3.23Å; P1388-E1390 VanDerWaalsContact C-N 3.29Å; P1388-E1390 PolarHBondContact O-N 3.34Å; E1390-D1392 PolarHBondContact O-N 3.37Å; E1390-D1392 VanDerWaalsContact O-N 3.16Å; E1390-L1393 HydrophobicContact CB-CD1 3.89Å; E1390-L1393 HydrophobicContact CB-CG 4.43Å; E1390-L1393 HydrophobicContact CG-CD1 4.37Å; E1390-L1393 WeakPolarHBondContact O-CB 3.46Å; E1390-L1393 PolarHBondContact O-N 2.83Å; E1390-Y1435 WeakPolarHBondContact OE2-CD1 3.41Å; E1390-Y1435 WeakPolarHBondContact OE2-CE1 3.4Å; E1390-R1472 IonicContact OE1-CZ 3.16Å; E1390-R1472 IonicContact OE1-NE 2.77Å; E1390-R1472 PolarHBondContact OE1-NE 3.01Å; E1390-R1472 IonicContact OE1-NH2 3.15Å; E1390-R1472 PolarHBondContact OE1-NH2 3.2Å; E1390-R1472 IonicContact OE2-NH2 3.72Å |
| 1391 | K | 70.2 | Confident | 70.5 | Confident | 92 Ų | 92 | 47.4 Ų | 47.4 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.5 | -174.6 | 64.6 | -178.1 | -179.4 | -174.8 | 0 | 113.8 | Q1344 Y1387 L1393 | Q1344-K1391 PolarHBondContact NE2-O 2.87Å; Y1387-K1391 PolarHBondContact O-N 3.47Å; K1391-L1393 PolarHBondContact O-N 3.46Å |
| 1392 | D | 76.1 | Confident | 70.3 | Confident | 45 Ų | 45 | 44.3 Ų | 44.3 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.4 | -175.8 | -69.1 | -26.6 | 0 | 0 | 0 | 113.6 | Q1344 K1349 E1390 F1407 | Q1344-D1392 PolarHBondContact NE2-OD1 3.11Å; K1349-D1392 IonicContact NZ-OD1 3.19Å; K1349-D1392 PolarHBondContact NZ-OD1 3.31Å; K1349-D1392 IonicContact NZ-OD2 2.77Å; K1349-D1392 PolarHBondContact NZ-OD2 3.42Å; E1390-D1392 PolarHBondContact O-N 3.37Å; E1390-D1392 VanDerWaalsContact O-N 3.16Å; D1392-F1407 WeakPolarHBondContact CB-O 3.41Å; D1392-F1407 PolarHBondContact O-N 2.72Å |
| 1393 | L | 74.5 | Confident | 70 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139.3 | 170.7 | -66.7 | 177.1 | 0 | 0 | 0 | 111 | N1385 E1390 K1391 F1405 K1406 I1420 Y1435 | N1385-L1393 HydrophobicContact CB-CB 3.98Å; N1385-L1393 WeakPolarHBondContact CB-O 3.49Å; N1385-L1393 PolarHBondContact N-O 2.81Å; E1390-L1393 HydrophobicContact CB-CD1 3.89Å; E1390-L1393 HydrophobicContact CB-CG 4.43Å; E1390-L1393 HydrophobicContact CG-CD1 4.37Å; E1390-L1393 WeakPolarHBondContact O-CB 3.46Å; E1390-L1393 PolarHBondContact O-N 2.83Å; K1391-L1393 PolarHBondContact O-N 3.46Å; L1393-F1405 WeakPolarHBondContact CA-O 3.45Å; L1393-K1406 HydrophobicContact CD2-CB 3.78Å; L1393-K1406 HydrophobicContact CD2-CD 4.32Å; L1393-K1406 HydrophobicContact CD2-CG 3.94Å; L1393-I1420 HydrophobicContact CD2-CD1 3.21Å; L1393-Y1435 HydrophobicContact CD1-CD1 3.73Å; L1393-Y1435 HydrophobicContact CD1-CE1 3.52Å; L1393-Y1435 HydrophobicContact CD1-CG 4.45Å |
| 1394 | F | 77.1 | Confident | 69.9 | Low | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 157.1 | 170.8 | 62.3 | -88.4 | 0 | 0 | 0 | 110.4 | I1351 A1361 I1372 L1383 W1384 I1396 F1405 F1407 V1417 | I1351-F1394 HydrophobicContact CD1-CB 3.96Å; I1351-F1394 HydrophobicContact CD1-CD1 4.05Å; I1351-F1394 HydrophobicContact CD1-CD2 3.22Å; I1351-F1394 HydrophobicContact CD1-CE1 4.31Å; I1351-F1394 HydrophobicContact CD1-CE2 3.52Å; I1351-F1394 HydrophobicContact CD1-CG 3.48Å; I1351-F1394 VanDerWaalsContact CD1-CG 3.48Å; I1351-F1394 HydrophobicContact CD1-CZ 4.04Å; I1351-F1394 HydrophobicContact CG1-CD2 4.42Å; I1351-F1394 HydrophobicContact CG1-CE2 4.32Å; A1361-F1394 HydrophobicContact CB-CZ 4.43Å; I1372-F1394 HydrophobicContact CD1-CE2 3.76Å; I1372-F1394 HydrophobicContact CD1-CZ 3.87Å; L1383-F1394 CarbonylContact O-C 3.48Å; L1383-F1394 VanDerWaalsContact O-CA 3.24Å; L1383-F1394 WeakPolarHBondContact O-CA 3.46Å; L1383-F1394 WeakPolarHBondContact O-CB 3.48Å; W1384-F1394 HydrophobicContact CD2-CB 3.95Å; W1384-F1394 HydrophobicContact CE3-CB 3.75Å; W1384-F1394 HydrophobicContact CE3-CD1 4.14Å; W1384-F1394 HydrophobicContact CE3-CG 4.34Å; W1384-F1394 HydrophobicContact CG-CB 4.4Å; W1384-F1394 AromaticContact CH2-CD1 3.88Å; W1384-F1394 HydrophobicContact CH2-CD1 3.88Å; W1384-F1394 HydrophobicContact CH2-CE1 4.35Å; W1384-F1394 HydrophobicContact CZ3-CB 4.15Å; W1384-F1394 AromaticContact CZ3-CD1 3.63Å; W1384-F1394 HydrophobicContact CZ3-CD1 3.63Å; W1384-F1394 HydrophobicContact CZ3-CE1 4.44Å; W1384-F1394 HydrophobicContact CZ3-CG 4.25Å; F1394-I1396 HydrophobicContact CD2-CD1 4.3Å; F1394-I1396 HydrophobicContact CD2-CG1 3.95Å; F1394-I1396 HydrophobicContact CE2-CD1 3.79Å; F1394-I1396 HydrophobicContact CE2-CG1 3.96Å; F1394-F1405 HydrophobicContact CD1-CB 4.19Å; F1394-F1405 HydrophobicContact CD2-CB 3.93Å; F1394-F1405 HydrophobicContact CD2-CD2 4.19Å; F1394-F1405 HydrophobicContact CD2-CG 4.43Å; F1394-F1405 HydrophobicContact CE1-CB 3.71Å; F1394-F1405 HydrophobicContact CE2-CB 3.44Å; F1394-F1405 VanDerWaalsContact CE2-CB 3.44Å; F1394-F1405 AromaticContact CE2-CD2 3.74Å; F1394-F1405 HydrophobicContact CE2-CD2 3.74Å; F1394-F1405 AromaticContact CE2-CG 3.75Å; F1394-F1405 HydrophobicContact CE2-CG 3.75Å; F1394-F1405 HydrophobicContact CG-CB 4.31Å; F1394-F1405 HydrophobicContact CZ-CB 3.34Å; F1394-F1405 HydrophobicContact CZ-CD2 4.41Å; F1394-F1405 AromaticContact CZ-CG 3.96Å; F1394-F1405 HydrophobicContact CZ-CG 3.96Å; F1394-F1405 PolarHBondContact N-O 3.12Å; F1394-F1405 PolarHBondContact O-N 3.45Å; F1394-F1405 VanDerWaalsContact O-O 3.13Å; F1394-F1407 HydrophobicContact CE1-CB 4.2Å; F1394-V1417 HydrophobicContact CE1-CG1 4.16Å; F1394-V1417 HydrophobicContact CZ-CG1 3.62Å |
| 1395 | V | 75.3 | Confident | 70 | Confident | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.2 | 178.9 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | A1382 L1383 I1402 K1403 T1404 L1433 | A1382-V1395 CarbonylContact C-O 3.53Å; A1382-V1395 WeakPolarHBondContact CA-O 3.44Å; L1383-V1395 PolarHBondContact N-O 3.35Å; L1383-V1395 PolarHBondContact O-N 3.17Å; V1395-I1402 HydrophobicContact CG1-CG2 3.3Å; V1395-K1403 CarbonylContact C-O 3.52Å; V1395-K1403 WeakPolarHBondContact CA-O 3.44Å; V1395-K1403 WeakPolarHBondContact CG1-O 3.33Å; V1395-T1404 HydrophobicContact CG2-CG2 4.06Å; V1395-L1433 HydrophobicContact CB-CD1 3.56Å; V1395-L1433 HydrophobicContact CG1-CD1 3.46Å; V1395-L1433 VanDerWaalsContact CG1-CD1 3.46Å; V1395-L1433 HydrophobicContact CG2-CD1 3.96Å |
| 1396 | I | 80 | Confident | 70.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119 | 169.4 | -56.1 | 177.6 | 0 | 0 | 0 | 106.6 | L1359 I1372 F1376 P1380 L1381 A1382 F1394 K1403 F1405 | L1359-I1396 HydrophobicContact CD1-CD1 4.04Å; L1359-I1396 HydrophobicContact CD1-CG2 3.97Å; L1359-I1396 HydrophobicContact CD2-CD1 4.07Å; L1359-I1396 HydrophobicContact CG-CD1 4.49Å; I1372-I1396 HydrophobicContact CD1-CD1 3.5Å; I1372-I1396 VanDerWaalsContact CD1-CD1 3.5Å; I1372-I1396 HydrophobicContact CG2-CD1 4.38Å; F1376-I1396 HydrophobicContact CD1-CB 4.34Å; F1376-I1396 HydrophobicContact CD1-CG2 3.55Å; F1376-I1396 HydrophobicContact CD2-CG2 4.26Å; F1376-I1396 HydrophobicContact CE1-CB 3.56Å; F1376-I1396 HydrophobicContact CE1-CG2 3.28Å; F1376-I1396 HydrophobicContact CE2-CB 4.37Å; F1376-I1396 HydrophobicContact CE2-CD1 4.06Å; F1376-I1396 HydrophobicContact CE2-CG2 4.02Å; F1376-I1396 HydrophobicContact CG-CG2 4.03Å; F1376-I1396 HydrophobicContact CZ-CB 3.58Å; F1376-I1396 HydrophobicContact CZ-CD1 3.94Å; F1376-I1396 HydrophobicContact CZ-CG1 4.33Å; F1376-I1396 HydrophobicContact CZ-CG2 3.53Å; P1380-I1396 HydrophobicContact CB-CG2 3.62Å; L1381-I1396 WeakPolarHBondContact O-CA 3.46Å; A1382-I1396 HydrophobicContact CB-CG1 4.23Å; F1394-I1396 HydrophobicContact CD2-CD1 4.3Å; F1394-I1396 HydrophobicContact CD2-CG1 3.95Å; F1394-I1396 HydrophobicContact CE2-CD1 3.79Å; F1394-I1396 HydrophobicContact CE2-CG1 3.96Å; I1396-K1403 PolarHBondContact N-O 2.95Å; I1396-K1403 PolarHBondContact O-N 2.85Å; I1396-F1405 HydrophobicContact CB-CD2 4.47Å; I1396-F1405 HydrophobicContact CB-CE2 4.06Å; I1396-F1405 HydrophobicContact CD1-CD2 4.07Å; I1396-F1405 HydrophobicContact CD1-CE2 3.87Å; I1396-F1405 HydrophobicContact CG1-CD2 4.08Å; I1396-F1405 HydrophobicContact CG1-CE2 4.03Å |
| 1397 | S | 72.1 | Confident | 71.3 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.3 | 170.8 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | P1380 L1381 S1401 M1431 | P1380-S1397 CarbonylContact C-O 3.59Å; P1380-S1397 VanDerWaalsContact CA-O 3.27Å; P1380-S1397 WeakPolarHBondContact CA-O 3.31Å; L1381-S1397 PolarHBondContact N-O 3.1Å; L1381-S1397 PolarHBondContact O-N 3.1Å; S1397-S1401 WeakPolarHBondContact CA-O 3.35Å; S1397-M1431 WeakPolarHBondContact CB-SD 3.45Å; S1397-M1431 WeakPolarHBondContact OG-CE 3.47Å; S1397-M1431 PolarHBondContact OG-SD 3.12Å |
| 1398 | D | 69.7 | Low | 71.8 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | trans | -117.9 | -169.6 | 162.2 | 73.2 | -4.2 | 0 | 0 | 0 | 109.3 | F1376 T1377 H1400 S1401 | F1376-D1398 HydrophobicContact CB-CB 4.34Å; F1376-D1398 HydrophobicContact CD1-CB 4.22Å; T1377-D1398 WeakPolarHBondContact CB-OD2 3.47Å; T1377-D1398 PolarHBondContact N-OD2 3.17Å; T1377-D1398 WeakPolarHBondContact OG1-CB 3.36Å; T1377-D1398 PolarHBondContact OG1-OD2 3.49Å; D1398-H1400 PolarHBondContact O-N 3.08Å; D1398-H1400 VanDerWaalsContact O-N 3.15Å; D1398-H1400 PolarHBondContact OD1-N 2.82Å; D1398-S1401 PolarHBondContact N-O 3.05Å; D1398-S1401 WeakPolarHBondContact OD1-CA 3.34Å; D1398-S1401 WeakPolarHBondContact OD1-CB 3.46Å; D1398-S1401 PolarHBondContact OD1-N 3.16Å; D1398-S1401 PolarHBondContact OD1-OG 3.42Å | ||
| 1399 | K | 64.2 | Low | 72.2 | Confident | 125 Ų | 125 | 33 Ų | 33 | 54% | 0.543 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -64.7 | -16.5 | -179.5 | -68.7 | 178.3 | -179.2 | 172 | 0 | 113.6 | ||
| 1400 | H | 66.4 | Low | 72.8 | Confident | 130 Ų | 130 | 33.6 Ų | 33.6 | 60% | 0.602 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -123 | -25.1 | -167.1 | -64.1 | -51.2 | 0 | 0 | 0 | 113.9 | T1377 D1398 S1425 | T1377-H1400 PolarHBondContact OG1-CD2 2.89Å; D1398-H1400 PolarHBondContact O-N 3.08Å; D1398-H1400 VanDerWaalsContact O-N 3.15Å; D1398-H1400 PolarHBondContact OD1-N 2.82Å; H1400-S1425 PolarHBondContact O-N 3.25Å |
| 1401 | S | 68.5 | Low | 73.3 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 12% | 0.119 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 149.3 | -168 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | S1397 D1398 C1423 | S1397-S1401 WeakPolarHBondContact CA-O 3.35Å; D1398-S1401 PolarHBondContact N-O 3.05Å; D1398-S1401 WeakPolarHBondContact OD1-CA 3.34Å; D1398-S1401 WeakPolarHBondContact OD1-CB 3.46Å; D1398-S1401 PolarHBondContact OD1-N 3.16Å; D1398-S1401 PolarHBondContact OD1-OG 3.42Å; S1401-C1423 CarbonylContact C-O 3.43Å; S1401-C1423 VanDerWaalsContact CA-O 3.28Å; S1401-C1423 WeakPolarHBondContact CA-O 3.32Å |
| 1402 | I | 69.3 | Low | 73.7 | Confident | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 108.2 | 174.1 | -58.2 | -177.3 | 0 | 0 | 0 | 104.8 | V1395 S1422 C1423 M1431 L1442 | V1395-I1402 HydrophobicContact CG1-CG2 3.3Å; I1402-S1422 CarbonylContact O-C 3.42Å; I1402-S1422 WeakPolarHBondContact O-CA 3.33Å; I1402-C1423 HydrophobicContact CB-CB 4.39Å; I1402-C1423 PolarHBondContact N-O 2.93Å; I1402-C1423 PolarHBondContact O-N 3.19Å; I1402-M1431 HydrophobicContact CD1-SD 4.11Å; I1402-M1431 HydrophobicContact CG1-SD 4.47Å; I1402-L1442 HydrophobicContact CD1-CD1 4.02Å; I1402-L1442 HydrophobicContact CD1-CD2 3.57Å; I1402-L1442 HydrophobicContact CD1-CG 4.47Å |
| 1403 | K | 73 | Confident | 73.6 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.9 | -177.4 | -65.6 | -174.1 | -168 | 172.5 | 0 | 109.6 | E1374 D1375 F1376 V1395 I1396 F1405 L1419 Q1421 | E1374-K1403 HydrophobicContact CB-CD 4.27Å; E1374-K1403 HydrophobicContact CG-CD 4.38Å; E1374-K1403 IonicContact OE2-NZ 3.73Å; E1374-K1403 PolarHBondContact OE2-NZ 3.35Å; D1375-K1403 PolarHBondContact O-NZ 3.37Å; F1376-K1403 HydrophobicContact CE1-CB 3.96Å; F1376-K1403 HydrophobicContact CE1-CD 3.69Å; F1376-K1403 HydrophobicContact CE1-CG 4.02Å; F1376-K1403 HydrophobicContact CZ-CB 4.09Å; F1376-K1403 HydrophobicContact CZ-CD 3.75Å; F1376-K1403 HydrophobicContact CZ-CG 4.37Å; V1395-K1403 CarbonylContact C-O 3.52Å; V1395-K1403 WeakPolarHBondContact CA-O 3.44Å; V1395-K1403 WeakPolarHBondContact CG1-O 3.33Å; I1396-K1403 PolarHBondContact N-O 2.95Å; I1396-K1403 PolarHBondContact O-N 2.85Å; K1403-F1405 HydrophobicContact CB-CD2 4.38Å; K1403-F1405 HydrophobicContact CB-CE2 3.45Å; K1403-F1405 VanDerWaalsContact CB-CE2 3.45Å; K1403-F1405 HydrophobicContact CB-CZ 3.83Å; K1403-F1405 HydrophobicContact CD-CZ 4.25Å; K1403-F1405 WeakPolarHBondContact O-CD2 3.26Å; K1403-F1405 WeakPolarHBondContact O-CE2 3.27Å; K1403-L1419 HydrophobicContact CB-CD1 3.73Å; K1403-L1419 HydrophobicContact CD-CD1 4.26Å; K1403-L1419 HydrophobicContact CG-CD1 4.17Å; K1403-Q1421 CarbonylContact C-O 3.58Å; K1403-Q1421 VanDerWaalsContact CA-O 3.29Å; K1403-Q1421 WeakPolarHBondContact CA-O 3.36Å |
| 1404 | T | 72.3 | Confident | 73.6 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.3 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | V1395 I1420 Q1421 | V1395-T1404 HydrophobicContact CG2-CG2 4.06Å; T1404-I1420 HydrophobicContact CG2-CD1 4.4Å; T1404-I1420 PolarHBondContact O-N 3Å; T1404-Q1421 PolarHBondContact N-O 3.03Å; T1404-Q1421 PolarHBondContact O-N 3.33Å |
| 1405 | F | 79.5 | Confident | 73.6 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 156.5 | -179.2 | -62 | -92.8 | 0 | 0 | 0 | 111.6 | I1372 E1374 F1376 L1393 F1394 I1396 K1403 V1417 Q1418 L1419 | I1372-F1405 HydrophobicContact CG2-CD1 4.27Å; I1372-F1405 HydrophobicContact CG2-CE1 3.65Å; I1372-F1405 HydrophobicContact CG2-CE2 4.49Å; I1372-F1405 HydrophobicContact CG2-CZ 3.78Å; E1374-F1405 HydrophobicContact CB-CZ 4.13Å; E1374-F1405 HydrophobicContact CG-CE1 3.93Å; E1374-F1405 HydrophobicContact CG-CZ 3.9Å; F1376-F1405 HydrophobicContact CE1-CE2 4.47Å; F1376-F1405 HydrophobicContact CE2-CE2 4.45Å; F1376-F1405 HydrophobicContact CE2-CZ 4.2Å; F1376-F1405 AromaticContact CZ-CE2 3.6Å; F1376-F1405 HydrophobicContact CZ-CE2 3.6Å; F1376-F1405 AromaticContact CZ-CZ 3.62Å; F1376-F1405 HydrophobicContact CZ-CZ 3.62Å; L1393-F1405 WeakPolarHBondContact CA-O 3.45Å; F1394-F1405 HydrophobicContact CD1-CB 4.19Å; F1394-F1405 HydrophobicContact CD2-CB 3.93Å; F1394-F1405 HydrophobicContact CD2-CD2 4.19Å; F1394-F1405 HydrophobicContact CD2-CG 4.43Å; F1394-F1405 HydrophobicContact CE1-CB 3.71Å; F1394-F1405 HydrophobicContact CE2-CB 3.44Å; F1394-F1405 VanDerWaalsContact CE2-CB 3.44Å; F1394-F1405 AromaticContact CE2-CD2 3.74Å; F1394-F1405 HydrophobicContact CE2-CD2 3.74Å; F1394-F1405 AromaticContact CE2-CG 3.75Å; F1394-F1405 HydrophobicContact CE2-CG 3.75Å; F1394-F1405 HydrophobicContact CG-CB 4.31Å; F1394-F1405 HydrophobicContact CZ-CB 3.34Å; F1394-F1405 HydrophobicContact CZ-CD2 4.41Å; F1394-F1405 AromaticContact CZ-CG 3.96Å; F1394-F1405 HydrophobicContact CZ-CG 3.96Å; F1394-F1405 PolarHBondContact N-O 3.12Å; F1394-F1405 PolarHBondContact O-N 3.45Å; F1394-F1405 VanDerWaalsContact O-O 3.13Å; I1396-F1405 HydrophobicContact CB-CD2 4.47Å; I1396-F1405 HydrophobicContact CB-CE2 4.06Å; I1396-F1405 HydrophobicContact CD1-CD2 4.07Å; I1396-F1405 HydrophobicContact CD1-CE2 3.87Å; I1396-F1405 HydrophobicContact CG1-CD2 4.08Å; I1396-F1405 HydrophobicContact CG1-CE2 4.03Å; K1403-F1405 HydrophobicContact CB-CD2 4.38Å; K1403-F1405 HydrophobicContact CB-CE2 3.45Å; K1403-F1405 VanDerWaalsContact CB-CE2 3.45Å; K1403-F1405 HydrophobicContact CB-CZ 3.83Å; K1403-F1405 HydrophobicContact CD-CZ 4.25Å; K1403-F1405 WeakPolarHBondContact O-CD2 3.26Å; K1403-F1405 WeakPolarHBondContact O-CE2 3.27Å; F1405-V1417 HydrophobicContact CB-CG1 4Å; F1405-V1417 HydrophobicContact CD1-CG1 3.86Å; F1405-V1417 HydrophobicContact CG-CG1 4.24Å; F1405-Q1418 CarbonylContact C-O 3.36Å; F1405-Q1418 WeakPolarHBondContact CA-O 3.19Å; F1405-L1419 HydrophobicContact CD1-CB 4.14Å; F1405-L1419 HydrophobicContact CD1-CD1 4.21Å; F1405-L1419 HydrophobicContact CE1-CB 3.93Å; F1405-L1419 HydrophobicContact CE1-CD1 3.74Å; F1405-L1419 HydrophobicContact CE1-CG 4.43Å; F1405-L1419 HydrophobicContact CE2-CD1 4.19Å; F1405-L1419 HydrophobicContact CZ-CD1 3.72Å |
| 1406 | K | 77.9 | Confident | 73.8 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.7 | 171.8 | -170.9 | 176.1 | 174.3 | -176.7 | 0 | 110 | L1393 V1417 Q1418 I1420 D1469 E1498 | L1393-K1406 HydrophobicContact CD2-CB 3.78Å; L1393-K1406 HydrophobicContact CD2-CD 4.32Å; L1393-K1406 HydrophobicContact CD2-CG 3.94Å; K1406-V1417 WeakPolarHBondContact O-CA 3.4Å; K1406-Q1418 PolarHBondContact N-O 3.26Å; K1406-Q1418 PolarHBondContact O-N 2.74Å; K1406-I1420 HydrophobicContact CB-CD1 3.66Å; K1406-I1420 HydrophobicContact CB-CG1 4.22Å; K1406-I1420 HydrophobicContact CD-CD1 4.34Å; K1406-D1469 IonicContact NZ-OD1 3.73Å; K1406-D1469 PolarHBondContact NZ-OD1 3.33Å; K1406-E1498 IonicContact NZ-OE1 3.13Å; K1406-E1498 PolarHBondContact NZ-OE1 3.04Å |
| 1407 | F | 83.1 | Confident | 73.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 97.4 | 171.5 | -166.9 | -70.5 | 0 | 0 | 0 | 109.8 | K1349 A1361 D1363 D1392 F1394 K1409 T1415 V1417 | K1349-F1407 HydrophobicContact CD-CD1 3.9Å; K1349-F1407 HydrophobicContact CD-CE1 4.24Å; K1349-F1407 HydrophobicContact CD-CG 4.17Å; K1349-F1407 VanDerWaalsContact NZ-CD1 3.32Å; K1349-F1407 PolarHBondContact NZ-O 3.5Å; A1361-F1407 HydrophobicContact CB-CD2 3.78Å; A1361-F1407 HydrophobicContact CB-CE2 3.85Å; D1363-F1407 HydrophobicContact CB-CZ 4.27Å; D1392-F1407 WeakPolarHBondContact CB-O 3.41Å; D1392-F1407 PolarHBondContact O-N 2.72Å; F1394-F1407 HydrophobicContact CE1-CB 4.2Å; F1407-K1409 HydrophobicContact CD1-CG 4.22Å; F1407-K1409 HydrophobicContact CE1-CG 3.84Å; F1407-T1415 HydrophobicContact CD1-CG2 4.32Å; F1407-T1415 HydrophobicContact CE1-CG2 3.48Å; F1407-T1415 VanDerWaalsContact CE1-CG2 3.48Å; F1407-T1415 HydrophobicContact CZ-CG2 3.73Å; F1407-V1417 HydrophobicContact CD2-CG2 3.76Å; F1407-V1417 HydrophobicContact CE2-CG2 4.17Å |
| 1408 | T | 74.1 | Confident | 74 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.6 | -179.9 | -50.8 | 0 | 0 | 0 | 0 | 110.3 | T1411 T1415 R1416 E1498 | T1408-T1411 HydrophobicContact CG2-CG2 3.71Å; T1408-T1415 WeakPolarHBondContact O-CA 3.49Å; T1408-R1416 PolarHBondContact N-O 3.46Å; T1408-R1416 PolarHBondContact O-N 3.46Å; T1408-R1416 VanDerWaalsContact O-N 3.09Å; T1408-E1498 HydrophobicContact CG2-CG 4.2Å |
| 1409 | K | 72.9 | Confident | 74.3 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | trans | -91.6 | 145.4 | 171.8 | -72.8 | -178.7 | 168 | -179.5 | 0 | 109.6 | D1363 F1407 T1415 | D1363-K1409 VanDerWaalsContact CG-NZ 3.28Å; D1363-K1409 IonicContact OD1-NZ 2.77Å; D1363-K1409 WeakPolarHBondContact OD2-CE 3.43Å; D1363-K1409 IonicContact OD2-NZ 3.83Å; D1363-K1409 PolarHBondContact OD2-NZ 3.37Å; F1407-K1409 HydrophobicContact CD1-CG 4.22Å; F1407-K1409 HydrophobicContact CE1-CG 3.84Å; K1409-T1415 HydrophobicContact CG-CG2 4.19Å | ||
| 1410 | N | 70.5 | Confident | 74.4 | Confident | 76 Ų | 76 | 41.2 Ų | 41.2 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 59.1 | 59.1 | 174.4 | -50.5 | -24.7 | 0 | 0 | 0 | 114 | L1499 | N1410-L1499 HydrophobicContact CB-CD1 4.11Å; N1410-L1499 VanDerWaalsContact O-CD1 3.24Å; N1410-L1499 WeakPolarHBondContact O-CD1 3.34Å; N1410-L1499 VanDerWaalsContact O-CG 3.31Å; N1410-L1499 WeakPolarHBondContact O-CG 3.46Å |
| 1411 | T | 72.8 | Confident | 74.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | trans | -85.6 | 173.7 | 163.3 | 72.7 | 0 | 0 | 0 | 0 | 110.9 | T1408 E1413 N1414 R1416 D1497 R1533 | T1408-T1411 HydrophobicContact CG2-CG2 3.71Å; T1411-E1413 PolarHBondContact O-N 3.15Å; T1411-E1413 PolarHBondContact OG1-N 3.16Å; T1411-N1414 WeakPolarHBondContact CB-O 3.15Å; T1411-N1414 PolarHBondContact N-O 3.41Å; T1411-N1414 VanDerWaalsContact N-O 3.11Å; T1411-N1414 PolarHBondContact O-N 3.24Å; T1411-N1414 PolarHBondContact OG1-N 2.77Å; T1411-N1414 VanDerWaalsContact OG1-N 3.14Å; T1411-N1414 PolarHBondContact OG1-O 3.1Å; T1411-R1416 HydrophobicContact CG2-CG 4.25Å; T1411-D1497 CarbonylContact C-O 3.57Å; T1411-D1497 WeakPolarHBondContact CA-O 3.34Å; T1411-D1497 VanDerWaalsContact CB-O 3.28Å; T1411-D1497 WeakPolarHBondContact CB-O 3.1Å; T1411-R1533 PolarHBondContact O-NE 3.36Å | ||
| 1412 | I | 79.4 | Confident | 74 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -56.7 | -33.6 | 173.6 | -59.7 | 172.1 | 0 | 0 | 0 | 111.2 | L1496 D1497 L1499 R1533 I1536 A1537 M1540 L1545 L1549 | I1412-L1496 WeakPolarHBondContact CG1-O 3.3Å; I1412-D1497 HydrophobicContact CD1-CB 4.42Å; I1412-D1497 PolarHBondContact N-O 3.33Å; I1412-L1499 HydrophobicContact CG1-CD2 4.07Å; I1412-R1533 VanDerWaalsContact O-CZ 3.23Å; I1412-R1533 PolarHBondContact O-NE 3.26Å; I1412-R1533 PolarHBondContact O-NH2 3.31Å; I1412-I1536 HydrophobicContact CD1-CG2 3.58Å; I1412-I1536 HydrophobicContact CG1-CG2 4.09Å; I1412-A1537 HydrophobicContact CG2-CB 4.21Å; I1412-M1540 HydrophobicContact CD1-CG 4.47Å; I1412-M1540 HydrophobicContact CD1-SD 3.16Å; I1412-M1540 WeakPolarHBondContact CD1-SD 3.41Å; I1412-L1545 HydrophobicContact CG2-CD2 3.62Å; I1412-L1549 HydrophobicContact CG2-CD1 4.47Å |
| 1413 | E | 72.8 | Confident | 73.6 | Confident | 118 Ų | 118 | 39 Ų | 39 | 55% | 0.551 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -91.6 | -29 | -179.6 | -69.2 | -174.3 | 150.9 | 0 | 0 | 115 | T1411 R1416 R1533 L1545 | T1411-E1413 PolarHBondContact O-N 3.15Å; T1411-E1413 PolarHBondContact OG1-N 3.16Å; E1413-R1416 IonicContact OE2-NH1 3.85Å; E1413-R1533 PolarHBondContact O-NH2 3.47Å; E1413-L1545 HydrophobicContact CG-CD2 4Å |
| 1414 | N | 73.7 | Confident | 72.9 | Confident | 72 Ų | 72 | 41.8 Ų | 41.8 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | trans | 150.9 | -160 | 162.7 | -101.5 | -47.4 | 0 | 0 | 0 | 109.5 | T1411 R1416 R1533 | T1411-N1414 WeakPolarHBondContact CB-O 3.15Å; T1411-N1414 PolarHBondContact N-O 3.41Å; T1411-N1414 VanDerWaalsContact N-O 3.11Å; T1411-N1414 PolarHBondContact O-N 3.24Å; T1411-N1414 PolarHBondContact OG1-N 2.77Å; T1411-N1414 VanDerWaalsContact OG1-N 3.14Å; T1411-N1414 PolarHBondContact OG1-O 3.1Å; N1414-R1416 PolarHBondContact O-N 2.91Å; N1414-R1533 VanDerWaalsContact CA-NH2 3.33Å; N1414-R1533 PolarHBondContact ND2-NH2 3.1Å; N1414-R1533 PolarHBondContact OD1-NH1 3.06Å; N1414-R1533 PolarHBondContact OD1-NH2 3.49Å | ||
| 1415 | T | 77.8 | Confident | 72 | Confident | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -63.6 | 127.4 | 164.9 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | Y1368 L1370 F1407 T1408 K1409 | Y1368-T1415 HydrophobicContact CD2-CG2 4.42Å; L1370-T1415 HydrophobicContact CD1-CG2 4.01Å; L1370-T1415 WeakPolarHBondContact CD1-O 3.38Å; F1407-T1415 HydrophobicContact CD1-CG2 4.32Å; F1407-T1415 HydrophobicContact CE1-CG2 3.48Å; F1407-T1415 VanDerWaalsContact CE1-CG2 3.48Å; F1407-T1415 HydrophobicContact CZ-CG2 3.73Å; T1408-T1415 WeakPolarHBondContact O-CA 3.49Å; K1409-T1415 HydrophobicContact CG-CG2 4.19Å |
| 1416 | R | 78.7 | Confident | 70.4 | Confident | 67 Ų | 67 | 44.1 Ų | 44.1 | 25% | 0.253 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 157.3 | 177.6 | 71.5 | -179.9 | -173.9 | -149.6 | -8.1 | 112.2 | T1408 T1411 E1413 N1414 D1497 | T1408-R1416 PolarHBondContact N-O 3.46Å; T1408-R1416 PolarHBondContact O-N 3.46Å; T1408-R1416 VanDerWaalsContact O-N 3.09Å; T1411-R1416 HydrophobicContact CG2-CG 4.25Å; E1413-R1416 IonicContact OE2-NH1 3.85Å; N1414-R1416 PolarHBondContact O-N 2.91Å; R1416-D1497 IonicContact CZ-OD2 2.92Å; R1416-D1497 IonicContact NH1-OD2 2.86Å; R1416-D1497 IonicContact NH2-OD2 2.66Å; R1416-D1497 PolarHBondContact NH2-OD2 3.03Å |
| 1417 | V | 83.1 | Confident | 68.8 | Low | 33 Ų | 33 | 54.8 Ų | 54.8 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.5 | 170.2 | 178 | 0 | 0 | 0 | 0 | 107.9 | A1361 L1370 I1372 F1394 F1405 K1406 F1407 | A1361-V1417 HydrophobicContact CB-CG2 3.83Å; L1370-V1417 HydrophobicContact CB-CG2 4.31Å; L1370-V1417 HydrophobicContact CD1-CG2 4.11Å; I1372-V1417 HydrophobicContact CG1-CG1 4.34Å; F1394-V1417 HydrophobicContact CE1-CG1 4.16Å; F1394-V1417 HydrophobicContact CZ-CG1 3.62Å; F1405-V1417 HydrophobicContact CB-CG1 4Å; F1405-V1417 HydrophobicContact CD1-CG1 3.86Å; F1405-V1417 HydrophobicContact CG-CG1 4.24Å; K1406-V1417 WeakPolarHBondContact O-CA 3.4Å; F1407-V1417 HydrophobicContact CD2-CG2 3.76Å; F1407-V1417 HydrophobicContact CE2-CG2 4.17Å |
| 1418 | Q | 73.6 | Confident | 66.8 | Low | 75 Ų | 75 | 62.5 Ų | 62.5 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.3 | -175.5 | -174.5 | 172.6 | -5.5 | 0 | 0 | 110.7 | F1405 K1406 I1420 | F1405-Q1418 CarbonylContact C-O 3.36Å; F1405-Q1418 WeakPolarHBondContact CA-O 3.19Å; K1406-Q1418 PolarHBondContact N-O 3.26Å; K1406-Q1418 PolarHBondContact O-N 2.74Å; Q1418-I1420 PolarHBondContact O-N 3.44Å |
| 1419 | L | 77.4 | Confident | 65.2 | Low | 62 Ų | 62 | 63.2 Ų | 63.2 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 118.9 | 167.4 | 178.9 | 69.5 | 0 | 0 | 0 | 108.8 | K1403 F1405 | K1403-L1419 HydrophobicContact CB-CD1 3.73Å; K1403-L1419 HydrophobicContact CD-CD1 4.26Å; K1403-L1419 HydrophobicContact CG-CD1 4.17Å; F1405-L1419 HydrophobicContact CD1-CB 4.14Å; F1405-L1419 HydrophobicContact CD1-CD1 4.21Å; F1405-L1419 HydrophobicContact CE1-CB 3.93Å; F1405-L1419 HydrophobicContact CE1-CD1 3.74Å; F1405-L1419 HydrophobicContact CE1-CG 4.43Å; F1405-L1419 HydrophobicContact CE2-CD1 4.19Å; F1405-L1419 HydrophobicContact CZ-CD1 3.72Å |
| 1420 | I | 66.4 | Low | 63.7 | Low | 55 Ų | 55 | 64.3 Ų | 64.3 | 28% | 0.282 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -46.5 | 175.3 | -65 | 164.9 | 0 | 0 | 0 | 110.1 | L1393 T1404 K1406 Q1418 | L1393-I1420 HydrophobicContact CD2-CD1 3.21Å; T1404-I1420 HydrophobicContact CG2-CD1 4.4Å; T1404-I1420 PolarHBondContact O-N 3Å; K1406-I1420 HydrophobicContact CB-CD1 3.66Å; K1406-I1420 HydrophobicContact CB-CG1 4.22Å; K1406-I1420 HydrophobicContact CD-CD1 4.34Å; Q1418-I1420 PolarHBondContact O-N 3.44Å |
| 1421 | Q | 62.5 | Low | 62.3 | Low | 17 Ų | 17 | 62.8 Ų | 62.8 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 143.9 | -169.1 | -169.2 | -174 | -48.1 | 0 | 0 | 111.1 | K1403 T1404 P1454 | K1403-Q1421 CarbonylContact C-O 3.58Å; K1403-Q1421 VanDerWaalsContact CA-O 3.29Å; K1403-Q1421 WeakPolarHBondContact CA-O 3.36Å; T1404-Q1421 PolarHBondContact N-O 3.03Å; T1404-Q1421 PolarHBondContact O-N 3.33Å; Q1421-P1454 HydrophobicContact CG-CG 3.5Å; Q1421-P1454 VanDerWaalsContact CG-CG 3.5Å |
| 1422 | S | 63.7 | Low | 61 | Low | 68 Ų | 68 | 66.7 Ų | 66.7 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.5 | 166.2 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | I1402 | I1402-S1422 CarbonylContact O-C 3.42Å; I1402-S1422 WeakPolarHBondContact O-CA 3.33Å |
| 1423 | C | 60.9 | Low | 59.3 | Low | 20 Ų | 20 | 67.8 Ų | 67.8 | 14% | 0.135 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.9 | 172.8 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | S1401 I1402 S1425 | S1401-C1423 CarbonylContact C-O 3.43Å; S1401-C1423 VanDerWaalsContact CA-O 3.28Å; S1401-C1423 WeakPolarHBondContact CA-O 3.32Å; I1402-C1423 HydrophobicContact CB-CB 4.39Å; I1402-C1423 PolarHBondContact N-O 2.93Å; I1402-C1423 PolarHBondContact O-N 3.19Å; C1423-S1425 PolarHBondContact O-N 2.93Å |
| 1424 | A | 57.6 | Low | 58 | Low | 79 Ų | 79 | 65.7 Ų | 65.7 | 65% | 0.653 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 131.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | A1426 | A1424-A1426 PolarHBondContact O-N 3.42Å; A1424-A1426 VanDerWaalsContact O-N 3.16Å |
| 1425 | S | 53 | Low | 56.5 | Low | 28 Ų | 28 | 63.4 Ų | 63.4 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | trans | -66 | 115.2 | 176 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | H1400 C1423 R1427 | H1400-S1425 PolarHBondContact O-N 3.25Å; C1423-S1425 PolarHBondContact O-N 2.93Å; S1425-R1427 PolarHBondContact O-N 3.43Å | ||
| 1426 | A | 46.5 | Very low | 54.8 | Low | 29 Ų | 29 | 68.6 Ų | 68.6 | 24% | 0.24 | 35% | 0.351 | C | S | . | . | trans | -59.8 | 120.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | A1424 R1428 A1429 | A1424-A1426 PolarHBondContact O-N 3.42Å; A1424-A1426 VanDerWaalsContact O-N 3.16Å; A1426-R1428 PolarHBondContact O-N 2.86Å; A1426-A1429 PolarHBondContact O-N 3.31Å | ||
| 1427 | R | 44 | Very low | 53 | Low | 250 Ų | 250 | 71.1 Ų | 71.1 | 94% | 0.943 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 5.2 | -162.1 | -76.9 | -177.3 | 173.4 | 179.3 | -1.7 | 116.6 | S1425 | S1425-R1427 PolarHBondContact O-N 3.43Š|
| 1428 | R | 41.7 | Very low | 51.1 | Low | 162 Ų | 162 | 70 Ų | 70 | 61% | 0.611 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.4 | 15.5 | -173.7 | -68.4 | -172.6 | 173.2 | 150.3 | -3.7 | 116 | F874 A1426 | F874-R1428 VanDerWaalsContact CE2-CZ 3.42Å; A1426-R1428 PolarHBondContact O-N 2.86Å |
| 1429 | A | 41 | Very low | 49.7 | Very low | 25 Ų | 25 | 70.3 Ų | 70.3 | 21% | 0.207 | 36% | 0.364 | C | S | . | . | trans | -88.6 | 123.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1426 M1431 E1444 | A1426-A1429 PolarHBondContact O-N 3.31Å; A1429-M1431 PolarHBondContact O-N 3.2Å; A1429-E1444 HydrophobicContact CB-CG 4.21Å | ||
| 1430 | T | 40.7 | Very low | 48.2 | Very low | 102 Ų | 102 | 67.6 Ų | 67.6 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | trans | -77 | 103 | 165.5 | -37.7 | 0 | 0 | 0 | 0 | 107.9 | V1432 | T1430-V1432 PolarHBondContact O-N 3.43Š| ||
| 1431 | M | 41.8 | Very low | 47.3 | Very low | 43 Ų | 43 | 66 Ų | 66 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | trans | -62.7 | 110 | -172.8 | -90.2 | 178.9 | 38.8 | 0 | 0 | 113.2 | L1381 L1383 S1397 I1402 A1429 L1433 L1442 | L1381-M1431 HydrophobicContact CD2-CE 4.36Å; L1383-M1431 HydrophobicContact CD1-CE 3.59Å; L1383-M1431 HydrophobicContact CG-CE 4.47Å; S1397-M1431 WeakPolarHBondContact CB-SD 3.45Å; S1397-M1431 WeakPolarHBondContact OG-CE 3.47Å; S1397-M1431 PolarHBondContact OG-SD 3.12Å; I1402-M1431 HydrophobicContact CD1-SD 4.11Å; I1402-M1431 HydrophobicContact CG1-SD 4.47Å; A1429-M1431 PolarHBondContact O-N 3.2Å; M1431-L1433 HydrophobicContact CE-CD1 3.38Å; M1431-L1433 HydrophobicContact CE-CG 3.94Å; M1431-L1433 HydrophobicContact CG-CG 4.49Å; M1431-L1433 HydrophobicContact SD-CD1 4.34Å; M1431-L1442 HydrophobicContact CG-CD2 4.13Å | ||
| 1432 | V | 43.9 | Very low | 46.5 | Very low | 83 Ų | 83 | 65.3 Ų | 65.3 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | trans | -114.2 | 85.3 | 156.9 | -176 | 0 | 0 | 0 | 0 | 106.6 | T1430 F1434 K1443 | T1430-V1432 PolarHBondContact O-N 3.43Å; V1432-F1434 PolarHBondContact O-N 3.49Å; V1432-K1443 HydrophobicContact CB-CB 4.38Å | ||
| 1433 | L | 44.7 | Very low | 45.5 | Very low | 24 Ų | 24 | 67.1 Ų | 67.1 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | trans | -80.4 | 108.9 | 178 | -74.6 | 175.4 | 0 | 0 | 0 | 109.5 | L1383 V1395 M1431 T1440 L1442 | L1383-L1433 HydrophobicContact CD1-CB 4.12Å; L1383-L1433 HydrophobicContact CD1-CD1 4.14Å; L1383-L1433 HydrophobicContact CD1-CG 4.41Å; V1395-L1433 HydrophobicContact CB-CD1 3.56Å; V1395-L1433 HydrophobicContact CG1-CD1 3.46Å; V1395-L1433 VanDerWaalsContact CG1-CD1 3.46Å; V1395-L1433 HydrophobicContact CG2-CD1 3.96Å; M1431-L1433 HydrophobicContact CE-CD1 3.38Å; M1431-L1433 HydrophobicContact CE-CG 3.94Å; M1431-L1433 HydrophobicContact CG-CG 4.49Å; M1431-L1433 HydrophobicContact SD-CD1 4.34Å; L1433-T1440 HydrophobicContact CD2-CG2 4.49Å; L1433-L1442 HydrophobicContact CD2-CD2 3.67Å; L1433-L1442 HydrophobicContact CD2-CG 4.31Å; L1433-L1442 HydrophobicContact CG-CD2 4.49Å | ||
| 1434 | F | 45.5 | Very low | 44.6 | Very low | 73 Ų | 73 | 69 Ų | 69 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139.4 | 150.6 | 56.4 | -83 | 0 | 0 | 0 | 107.7 | V1432 K1436 F1441 | V1432-F1434 PolarHBondContact O-N 3.49Å; F1434-K1436 HydrophobicContact CD2-CB 4.06Å; F1434-F1441 HydrophobicContact CD1-CB 3.89Å; F1434-F1441 HydrophobicContact CD1-CG 4.44Å; F1434-F1441 HydrophobicContact CD2-CB 3.94Å; F1434-F1441 HydrophobicContact CD2-CD1 4.44Å; F1434-F1441 AromaticContact CD2-CD2 3.33Å; F1434-F1441 HydrophobicContact CD2-CD2 3.33Å; F1434-F1441 AromaticContact CD2-CE2 3.9Å; F1434-F1441 HydrophobicContact CD2-CE2 3.9Å; F1434-F1441 AromaticContact CD2-CG 3.65Å; F1434-F1441 HydrophobicContact CD2-CG 3.65Å; F1434-F1441 HydrophobicContact CE1-CB 3.53Å; F1434-F1441 HydrophobicContact CE1-CD1 4.39Å; F1434-F1441 AromaticContact CE1-CG 3.96Å; F1434-F1441 HydrophobicContact CE1-CG 3.96Å; F1434-F1441 HydrophobicContact CE2-CB 3.61Å; F1434-F1441 AromaticContact CE2-CD1 3.46Å; F1434-F1441 HydrophobicContact CE2-CD1 3.46Å; F1434-F1441 VanDerWaalsContact CE2-CD1 3.46Å; F1434-F1441 AromaticContact CE2-CD2 3.13Å; F1434-F1441 HydrophobicContact CE2-CD2 3.13Å; F1434-F1441 AromaticContact CE2-CE1 3.83Å; F1434-F1441 HydrophobicContact CE2-CE1 3.83Å; F1434-F1441 AromaticContact CE2-CE2 3.55Å; F1434-F1441 HydrophobicContact CE2-CE2 3.55Å; F1434-F1441 AromaticContact CE2-CG 3.08Å; F1434-F1441 HydrophobicContact CE2-CG 3.08Å; F1434-F1441 AromaticContact CE2-CZ 3.88Å; F1434-F1441 HydrophobicContact CE2-CZ 3.88Å; F1434-F1441 HydrophobicContact CG-CB 4.08Å; F1434-F1441 HydrophobicContact CG-CD2 4.2Å; F1434-F1441 HydrophobicContact CG-CG 4.31Å; F1434-F1441 HydrophobicContact CZ-CB 3.39Å; F1434-F1441 AromaticContact CZ-CD1 3.43Å; F1434-F1441 HydrophobicContact CZ-CD1 3.43Å; F1434-F1441 VanDerWaalsContact CZ-CD1 3.43Å; F1434-F1441 AromaticContact CZ-CD2 3.84Å; F1434-F1441 HydrophobicContact CZ-CD2 3.84Å; F1434-F1441 HydrophobicContact CZ-CE1 4.12Å; F1434-F1441 HydrophobicContact CZ-CE2 4.48Å; F1434-F1441 AromaticContact CZ-CG 3.26Å; F1434-F1441 HydrophobicContact CZ-CG 3.26Å; F1434-F1441 WeakPolarHBondContact O-CD2 3.4Å; F1434-F1441 PolarHBondContact O-N 3.26Å |
| 1435 | Y | 42.3 | Very low | 43.7 | Very low | 24 Ų | 24 | 68.2 Ų | 68.2 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 110.5 | 172 | -170.7 | -95.6 | 0 | 0 | 0 | 106.5 | E1390 L1393 G1438 K1439 T1440 | E1390-Y1435 WeakPolarHBondContact OE2-CD1 3.41Å; E1390-Y1435 WeakPolarHBondContact OE2-CE1 3.4Å; L1393-Y1435 HydrophobicContact CD1-CD1 3.73Å; L1393-Y1435 HydrophobicContact CD1-CE1 3.52Å; L1393-Y1435 HydrophobicContact CD1-CG 4.45Å; Y1435-G1438 WeakPolarHBondContact OH-CA 3.4Å; Y1435-K1439 WeakPolarHBondContact CA-O 3.02Å; Y1435-T1440 HydrophobicContact CD2-CG2 3.67Å; Y1435-T1440 HydrophobicContact CE2-CG2 4.14Å |
| 1436 | K | 41.2 | Very low | 43 | Very low | 122 Ų | 122 | 70 Ų | 70 | 53% | 0.53 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 124.4 | 179.5 | -176.2 | -178 | -179.9 | -174.3 | 0 | 108.5 | F1434 G1438 K1439 F1441 | F1434-K1436 HydrophobicContact CD2-CB 4.06Å; K1436-G1438 VanDerWaalsContact C-N 3.29Å; K1436-G1438 PolarHBondContact O-N 3.01Å; K1436-K1439 PolarHBondContact N-O 3.42Å; K1436-K1439 WeakPolarHBondContact O-CB 3.45Å; K1436-K1439 PolarHBondContact O-N 3.49Å; K1436-F1441 HydrophobicContact CB-CD2 4.37Å; K1436-F1441 HydrophobicContact CB-CE2 3.7Å; K1436-F1441 HydrophobicContact CB-CZ 4.48Å; K1436-F1441 WeakPolarHBondContact O-CE2 3.45Å |
| 1437 | N | 42.1 | Very low | 42.4 | Very low | 119 Ų | 119 | 69.4 Ų | 69.4 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 38.6 | 178.1 | -56.6 | -6.8 | 0 | 0 | 0 | 114.2 | K1439 | N1437-K1439 VanDerWaalsContact C-N 3.26Å; N1437-K1439 PolarHBondContact O-N 2.69Å |
| 1438 | G | 43.1 | Very low | 42 | Very low | 9 Ų | 9 | 60.8 Ų | 60.8 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 3.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1435 K1436 R1472 | Y1435-G1438 WeakPolarHBondContact OH-CA 3.4Å; K1436-G1438 VanDerWaalsContact C-N 3.29Å; K1436-G1438 PolarHBondContact O-N 3.01Å; G1438-R1472 VanDerWaalsContact CA-NH2 3.31Å; G1438-R1472 VanDerWaalsContact N-CZ 3.25Å |
| 1439 | K | 43.8 | Very low | 41.9 | Very low | 83 Ų | 83 | 58.3 Ų | 58.3 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.8 | -173.5 | -65 | 155 | 161.1 | -155.9 | 0 | 106.7 | Y1435 K1436 N1437 F1441 L1451 T1453 | Y1435-K1439 WeakPolarHBondContact CA-O 3.02Å; K1436-K1439 PolarHBondContact N-O 3.42Å; K1436-K1439 WeakPolarHBondContact O-CB 3.45Å; K1436-K1439 PolarHBondContact O-N 3.49Å; N1437-K1439 VanDerWaalsContact C-N 3.26Å; N1437-K1439 PolarHBondContact O-N 2.69Å; K1439-F1441 HydrophobicContact CB-CD2 4.21Å; K1439-F1441 HydrophobicContact CB-CE2 3.66Å; K1439-F1441 HydrophobicContact CB-CZ 4.04Å; K1439-F1441 WeakPolarHBondContact O-CD2 3.29Å; K1439-F1441 WeakPolarHBondContact O-CE2 3.46Å; K1439-F1441 PolarHBondContact O-N 2.89Å; K1439-L1451 HydrophobicContact CB-CD2 3.98Å; K1439-L1451 HydrophobicContact CD-CD2 3.5Å; K1439-L1451 VanDerWaalsContact CD-CD2 3.5Å; K1439-L1451 HydrophobicContact CD-CG 4.48Å; K1439-L1451 VanDerWaalsContact CE-CD2 3.47Å; K1439-L1451 HydrophobicContact CG-CD2 3.53Å; K1439-T1453 HydrophobicContact CG-CG2 4.22Å |
| 1440 | T | 45.3 | Very low | 41.8 | Very low | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 109.9 | 162.1 | 35.3 | 0 | 0 | 0 | 0 | 107 | L1433 Y1435 L1442 H1452 | L1433-T1440 HydrophobicContact CD2-CG2 4.49Å; Y1435-T1440 HydrophobicContact CD2-CG2 3.67Å; Y1435-T1440 HydrophobicContact CE2-CG2 4.14Å; T1440-L1442 PolarHBondContact O-N 3.43Å; T1440-H1452 PolarHBondContact OG1-O 2.93Å |
| 1441 | F | 48 | Very low | 41.7 | Very low | 20 Ų | 20 | 56.8 Ų | 56.8 | 9% | 0.088 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 113.1 | 176 | -69.6 | -100.4 | 0 | 0 | 0 | 108.1 | F1434 K1436 K1439 E1449 L1451 | F1434-F1441 HydrophobicContact CD1-CB 3.89Å; F1434-F1441 HydrophobicContact CD1-CG 4.44Å; F1434-F1441 HydrophobicContact CD2-CB 3.94Å; F1434-F1441 HydrophobicContact CD2-CD1 4.44Å; F1434-F1441 AromaticContact CD2-CD2 3.33Å; F1434-F1441 HydrophobicContact CD2-CD2 3.33Å; F1434-F1441 AromaticContact CD2-CE2 3.9Å; F1434-F1441 HydrophobicContact CD2-CE2 3.9Å; F1434-F1441 AromaticContact CD2-CG 3.65Å; F1434-F1441 HydrophobicContact CD2-CG 3.65Å; F1434-F1441 HydrophobicContact CE1-CB 3.53Å; F1434-F1441 HydrophobicContact CE1-CD1 4.39Å; F1434-F1441 AromaticContact CE1-CG 3.96Å; F1434-F1441 HydrophobicContact CE1-CG 3.96Å; F1434-F1441 HydrophobicContact CE2-CB 3.61Å; F1434-F1441 AromaticContact CE2-CD1 3.46Å; F1434-F1441 HydrophobicContact CE2-CD1 3.46Å; F1434-F1441 VanDerWaalsContact CE2-CD1 3.46Å; F1434-F1441 AromaticContact CE2-CD2 3.13Å; F1434-F1441 HydrophobicContact CE2-CD2 3.13Å; F1434-F1441 AromaticContact CE2-CE1 3.83Å; F1434-F1441 HydrophobicContact CE2-CE1 3.83Å; F1434-F1441 AromaticContact CE2-CE2 3.55Å; F1434-F1441 HydrophobicContact CE2-CE2 3.55Å; F1434-F1441 AromaticContact CE2-CG 3.08Å; F1434-F1441 HydrophobicContact CE2-CG 3.08Å; F1434-F1441 AromaticContact CE2-CZ 3.88Å; F1434-F1441 HydrophobicContact CE2-CZ 3.88Å; F1434-F1441 HydrophobicContact CG-CB 4.08Å; F1434-F1441 HydrophobicContact CG-CD2 4.2Å; F1434-F1441 HydrophobicContact CG-CG 4.31Å; F1434-F1441 HydrophobicContact CZ-CB 3.39Å; F1434-F1441 AromaticContact CZ-CD1 3.43Å; F1434-F1441 HydrophobicContact CZ-CD1 3.43Å; F1434-F1441 VanDerWaalsContact CZ-CD1 3.43Å; F1434-F1441 AromaticContact CZ-CD2 3.84Å; F1434-F1441 HydrophobicContact CZ-CD2 3.84Å; F1434-F1441 HydrophobicContact CZ-CE1 4.12Å; F1434-F1441 HydrophobicContact CZ-CE2 4.48Å; F1434-F1441 AromaticContact CZ-CG 3.26Å; F1434-F1441 HydrophobicContact CZ-CG 3.26Å; F1434-F1441 WeakPolarHBondContact O-CD2 3.4Å; F1434-F1441 PolarHBondContact O-N 3.26Å; K1436-F1441 HydrophobicContact CB-CD2 4.37Å; K1436-F1441 HydrophobicContact CB-CE2 3.7Å; K1436-F1441 HydrophobicContact CB-CZ 4.48Å; K1436-F1441 WeakPolarHBondContact O-CE2 3.45Å; K1439-F1441 HydrophobicContact CB-CD2 4.21Å; K1439-F1441 HydrophobicContact CB-CE2 3.66Å; K1439-F1441 HydrophobicContact CB-CZ 4.04Å; K1439-F1441 WeakPolarHBondContact O-CD2 3.29Å; K1439-F1441 WeakPolarHBondContact O-CE2 3.46Å; K1439-F1441 PolarHBondContact O-N 2.89Å; F1441-E1449 HydrophobicContact CD1-CB 4.41Å; F1441-L1451 HydrophobicContact CE1-CD1 4.31Å |
| 1442 | L | 46.7 | Very low | 41.7 | Very low | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 104.8 | 169.8 | -72.4 | 168.9 | 0 | 0 | 0 | 106.8 | I1402 M1431 L1433 T1440 E1444 S1450 H1452 | I1402-L1442 HydrophobicContact CD1-CD1 4.02Å; I1402-L1442 HydrophobicContact CD1-CD2 3.57Å; I1402-L1442 HydrophobicContact CD1-CG 4.47Å; M1431-L1442 HydrophobicContact CG-CD2 4.13Å; L1433-L1442 HydrophobicContact CD2-CD2 3.67Å; L1433-L1442 HydrophobicContact CD2-CG 4.31Å; L1433-L1442 HydrophobicContact CG-CD2 4.49Å; T1440-L1442 PolarHBondContact O-N 3.43Å; L1442-E1444 PolarHBondContact O-N 3.14Å; L1442-S1450 WeakPolarHBondContact CB-OG 3.38Å; L1442-S1450 PolarHBondContact N-O 3.48Å; L1442-S1450 PolarHBondContact O-N 3.44Å; L1442-S1450 PolarHBondContact O-OG 3.27Å; L1442-H1452 HydrophobicContact CD1-CB 4.1Å |
| 1443 | K | 41.7 | Very low | 41.2 | Very low | 106 Ų | 106 | 57.2 Ų | 57.2 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 107.1 | 169.8 | -165.5 | 168.7 | -174.3 | 170.2 | 0 | 108 | V1432 | V1432-K1443 HydrophobicContact CB-CB 4.38Å |
| 1444 | E | 41.8 | Very low | 40.6 | Very low | 60 Ų | 60 | 59.1 Ų | 59.1 | 28% | 0.28 | 30% | 0.301 | S | S | . | . | trans | -73.1 | 158.4 | 170.1 | -69.6 | -172.2 | 155.4 | 0 | 0 | 109.1 | A1429 L1442 Q1446 G1447 Q1448 | A1429-E1444 HydrophobicContact CB-CG 4.21Å; L1442-E1444 PolarHBondContact O-N 3.14Å; E1444-Q1446 PolarHBondContact O-N 2.97Å; E1444-G1447 PolarHBondContact O-N 3.39Å; E1444-Q1448 PolarHBondContact N-O 3.38Å | ||
| 1445 | S | 38.3 | Very low | 40 | Very low | 61 Ų | 61 | 58.3 Ų | 58.3 | 43% | 0.427 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -3.3 | -177.4 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1446 | Q | 38.5 | Very low | 39.5 | Very low | 66 Ų | 66 | 65.2 Ų | 65.2 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 20.6 | -176.1 | -61.7 | -154.1 | -20.4 | 0 | 0 | 114.4 | Q1194 E1444 Q1448 | Q1194-Q1446 PolarHBondContact OE1-O 3.43Å; Q1194-Q1446 VanDerWaalsContact OE1-O 3.09Å; E1444-Q1446 PolarHBondContact O-N 2.97Å; Q1446-Q1448 PolarHBondContact O-N 3.23Å |
| 1447 | G | 35.2 | Very low | 39 | Very low | 17 Ų | 17 | 65 Ų | 65 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 72.3 | -13.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | E1444 | E1444-G1447 PolarHBondContact O-N 3.39Š|
| 1448 | Q | 33.9 | Very low | 38.3 | Very low | 69 Ų | 69 | 66.5 Ų | 66.5 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | trans | -71.2 | 125 | 168.3 | -73 | -168.7 | -34.5 | 0 | 0 | 112 | L911 E1444 Q1446 S1450 | L911-Q1448 VanDerWaalsContact CD2-OE1 3.23Å; L911-Q1448 VanDerWaalsContact CG-NE2 3.34Å; E1444-Q1448 PolarHBondContact N-O 3.38Å; Q1446-Q1448 PolarHBondContact O-N 3.23Å; Q1448-S1450 PolarHBondContact O-N 3.42Å; Q1448-S1450 VanDerWaalsContact O-N 3.11Å | ||
| 1449 | E | 39.5 | Very low | 37.5 | Very low | 110 Ų | 110 | 72.8 Ų | 72.8 | 51% | 0.514 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 96 | 166.3 | -64.3 | -171.2 | 161 | 0 | 0 | 108.4 | F1441 L1451 | F1441-E1449 HydrophobicContact CD1-CB 4.41Å; E1449-L1451 PolarHBondContact O-N 3.07Å; E1449-L1451 VanDerWaalsContact O-N 3.16Å |
| 1450 | S | 39.4 | Very low | 37 | Very low | 19 Ų | 19 | 72 Ų | 72 | 13% | 0.133 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 110.6 | 169.6 | 70.5 | 0 | 0 | 0 | 0 | 108.3 | L1442 Q1448 H1452 | L1442-S1450 WeakPolarHBondContact CB-OG 3.38Å; L1442-S1450 PolarHBondContact N-O 3.48Å; L1442-S1450 PolarHBondContact O-N 3.44Å; L1442-S1450 PolarHBondContact O-OG 3.27Å; Q1448-S1450 PolarHBondContact O-N 3.42Å; Q1448-S1450 VanDerWaalsContact O-N 3.11Å; S1450-H1452 VanDerWaalsContact C-N 3.34Å; S1450-H1452 PolarHBondContact O-N 3.48Å; S1450-H1452 VanDerWaalsContact O-N 3.15Å |
| 1451 | L | 38.6 | Very low | 36.3 | Very low | 76 Ų | 76 | 76.2 Ų | 76.2 | 40% | 0.398 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 74.7 | -173.6 | -134.7 | 143.8 | 0 | 0 | 0 | 107.9 | K1439 F1441 E1449 T1453 | K1439-L1451 HydrophobicContact CB-CD2 3.98Å; K1439-L1451 HydrophobicContact CD-CD2 3.5Å; K1439-L1451 VanDerWaalsContact CD-CD2 3.5Å; K1439-L1451 HydrophobicContact CD-CG 4.48Å; K1439-L1451 VanDerWaalsContact CE-CD2 3.47Å; K1439-L1451 HydrophobicContact CG-CD2 3.53Å; F1441-L1451 HydrophobicContact CE1-CD1 4.31Å; E1449-L1451 PolarHBondContact O-N 3.07Å; E1449-L1451 VanDerWaalsContact O-N 3.16Å; L1451-T1453 HydrophobicContact CD2-CG2 4.46Å; L1451-T1453 PolarHBondContact O-N 2.85Å |
| 1452 | H | 41.4 | Very low | 35.7 | Very low | 74 Ų | 74 | 78.5 Ų | 78.5 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 89.7 | -177.8 | -90 | -63 | 0 | 0 | 0 | 111.3 | T1440 L1442 S1450 | T1440-H1452 PolarHBondContact OG1-O 2.93Å; L1442-H1452 HydrophobicContact CD1-CB 4.1Å; S1450-H1452 VanDerWaalsContact C-N 3.34Å; S1450-H1452 PolarHBondContact O-N 3.48Å; S1450-H1452 VanDerWaalsContact O-N 3.15Å |
| 1453 | T | 34.5 | Very low | 35.3 | Very low | 60 Ų | 60 | 80.5 Ų | 80.5 | 37% | 0.368 | 43% | 0.432 | S | S | . | . | trans | -89.2 | 129.6 | 157.6 | 51.4 | 0 | 0 | 0 | 0 | 108.5 | K1439 L1451 H1455 | K1439-T1453 HydrophobicContact CG-CG2 4.22Å; L1451-T1453 HydrophobicContact CD2-CG2 4.46Å; L1451-T1453 PolarHBondContact O-N 2.85Å; T1453-H1455 VanDerWaalsContact C-N 3.29Å | ||
| 1454 | P | 31.4 | Very low | 35.2 | Very low | 64 Ų | 64 | 77.4 Ų | 77.4 | 42% | 0.416 | 42% | 0.422 | S | S | . | . | trans | -101.5 | 41.2 | 158.1 | 38.8 | -29.6 | 0 | 0 | 0 | 109 | Q1421 K1456 | Q1421-P1454 HydrophobicContact CG-CG 3.5Å; Q1421-P1454 VanDerWaalsContact CG-CG 3.5Å; P1454-K1456 PolarHBondContact O-N 3.44Å | ||
| 1455 | H | 32.8 | Very low | 35 | Very low | 57 Ų | 57 | 83 Ų | 83 | 26% | 0.264 | 45% | 0.448 | S | S | . | . | trans | -86.7 | 108.3 | 161.3 | -63.4 | -55.5 | 0 | 0 | 0 | 106.6 | T1453 I1457 E1466 | T1453-H1455 VanDerWaalsContact C-N 3.29Å; H1455-I1457 HydrophobicContact CB-CG1 4.45Å; H1455-I1457 PolarHBondContact O-N 2.92Å; H1455-E1466 IonicContact CE1-OE1 3.6Å; H1455-E1466 PolarHBondContact CE1-OE1 3.3Å; H1455-E1466 VanDerWaalsContact CE1-OE1 3.23Å; H1455-E1466 IonicContact CE1-OE2 3.59Å; H1455-E1466 PolarHBondContact CE1-OE2 3Å; H1455-E1466 IonicContact CG-OE2 3.22Å; H1455-E1466 IonicContact ND1-OE1 3.57Å; H1455-E1466 PolarHBondContact ND1-OE1 2.93Å; H1455-E1466 IonicContact ND1-OE2 3.86Å; H1455-E1466 PolarHBondContact ND1-OE2 3.36Å | ||
| 1456 | K | 33 | Very low | 35.1 | Very low | 168 Ų | 168 | 83.6 Ų | 83.6 | 73% | 0.73 | 44% | 0.444 | S | S | * | . | trans | -57.6 | 91.8 | 153.5 | -88.7 | 175 | 173.9 | 170.8 | 0 | 105.9 | P1454 Y1458 | P1454-K1456 PolarHBondContact O-N 3.44Å; K1456-Y1458 HydrophobicContact CB-CD2 4.22Å; K1456-Y1458 HydrophobicContact CD-CE2 4.19Å; K1456-Y1458 PolarHBondContact O-N 3.46Å | ||
| 1457 | I | 30.4 | Very low | 35.1 | Very low | 119 Ų | 119 | 82.9 Ų | 82.9 | 61% | 0.61 | 44% | 0.443 | S | S | * | . | trans | -65 | 87.8 | 165.5 | -60.2 | 170.2 | 0 | 0 | 0 | 105 | H1455 N1459 | H1455-I1457 HydrophobicContact CB-CG1 4.45Å; H1455-I1457 PolarHBondContact O-N 2.92Å; I1457-N1459 PolarHBondContact O-N 3.14Å | ||
| 1458 | Y | 27.2 | Very low | 35.6 | Very low | 150 Ų | 150 | 84.4 Ų | 84.4 | 59% | 0.588 | 45% | 0.448 | S | S | * | . | B | Isolated β-bridge | trans | -74.2 | 105.5 | 159.2 | -94.3 | -80 | 0 | 0 | 0 | 105.5 | K1456 G1460 I1461 | K1456-Y1458 HydrophobicContact CB-CD2 4.22Å; K1456-Y1458 HydrophobicContact CD-CE2 4.19Å; K1456-Y1458 PolarHBondContact O-N 3.46Å; Y1458-G1460 PolarHBondContact O-N 2.81Å; Y1458-I1461 PolarHBondContact O-N 3.34Å |
| 1459 | N | 27.3 | Very low | 36.3 | Very low | 140 Ų | 140 | 82.7 Ų | 82.7 | 75% | 0.749 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 49.8 | 165.3 | -59.2 | -15.8 | 0 | 0 | 0 | 115.9 | I1457 I1461 | I1457-N1459 PolarHBondContact O-N 3.14Å; N1459-I1461 VanDerWaalsContact C-N 3.26Å; N1459-I1461 PolarHBondContact O-N 3.47Å |
| 1460 | G | 32.6 | Very low | 36.5 | Very low | 67 Ų | 67 | 77.7 Ų | 77.7 | 69% | 0.691 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 6.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y1458 | Y1458-G1460 PolarHBondContact O-N 2.81Š|
| 1461 | I | 30.6 | Very low | 36.9 | Very low | 94 Ų | 94 | 82.8 Ų | 82.8 | 48% | 0.482 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -112.3 | 119.6 | 173.5 | -55.3 | 170.3 | 0 | 0 | 0 | 107.7 | Y1458 N1459 M1487 | Y1458-I1461 PolarHBondContact O-N 3.34Å; N1459-I1461 VanDerWaalsContact C-N 3.26Å; N1459-I1461 PolarHBondContact O-N 3.47Å; I1461-M1487 HydrophobicContact CG2-SD 4.37Å |
| 1462 | P | 36 | Very low | 37.3 | Very low | 68 Ų | 68 | 83.1 Ų | 83.1 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | trans | -62.6 | 135.8 | 170 | -7.5 | 21.1 | 0 | 0 | 0 | 108.7 | V1464 L1467 | P1462-V1464 PolarHBondContact O-N 3.48Å; P1462-L1467 HydrophobicContact CB-CD1 4.47Å; P1462-L1467 HydrophobicContact CB-CG 4.41Å | ||
| 1463 | A | 36.8 | Very low | 37.5 | Very low | 46 Ų | 46 | 80.5 Ų | 80.5 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | trans | -51.1 | 124.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | E1465 E1466 | A1463-E1465 PolarHBondContact O-N 3.33Å; A1463-E1466 PolarHBondContact O-N 3.02Å | ||
| 1464 | V | 39.3 | Very low | 37.7 | Very low | 41 Ų | 41 | 83.7 Ų | 83.7 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.5 | -169.5 | -169.2 | 0 | 0 | 0 | 0 | 112.9 | P1462 E1466 M1487 L1490 | P1462-V1464 PolarHBondContact O-N 3.48Å; V1464-E1466 VanDerWaalsContact C-N 3.26Å; V1464-E1466 PolarHBondContact O-N 3.04Å; V1464-M1487 HydrophobicContact CB-SD 4.41Å; V1464-M1487 HydrophobicContact CG1-CG 4.29Å; V1464-M1487 HydrophobicContact CG1-SD 4.11Å; V1464-M1487 HydrophobicContact CG2-CG 4.12Å; V1464-M1487 HydrophobicContact CG2-SD 3.45Å; V1464-M1487 WeakPolarHBondContact CG2-SD 3.46Å; V1464-L1490 HydrophobicContact CB-CD1 4.18Å; V1464-L1490 HydrophobicContact CG1-CB 3.9Å; V1464-L1490 HydrophobicContact CG1-CD1 3.42Å; V1464-L1490 VanDerWaalsContact CG1-CD1 3.42Å; V1464-L1490 HydrophobicContact CG1-CG 4.3Å |
| 1465 | E | 38.2 | Very low | 38.1 | Very low | 177 Ų | 177 | 83.4 Ų | 83.4 | 83% | 0.827 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -19.6 | 174.3 | -66.1 | 179.5 | 162.6 | 0 | 0 | 113.4 | A1463 V1468 | A1463-E1465 PolarHBondContact O-N 3.33Å; E1465-V1468 WeakPolarHBondContact O-CG2 3.37Å |
| 1466 | E | 40.8 | Very low | 38.5 | Very low | 73 Ų | 73 | 83.5 Ų | 83.5 | 34% | 0.341 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -6.8 | -177.8 | -67 | 168.8 | 128.7 | 0 | 0 | 112.8 | H1455 A1463 V1464 V1468 | H1455-E1466 IonicContact CE1-OE1 3.6Å; H1455-E1466 PolarHBondContact CE1-OE1 3.3Å; H1455-E1466 VanDerWaalsContact CE1-OE1 3.23Å; H1455-E1466 IonicContact CE1-OE2 3.59Å; H1455-E1466 PolarHBondContact CE1-OE2 3Å; H1455-E1466 IonicContact CG-OE2 3.22Å; H1455-E1466 IonicContact ND1-OE1 3.57Å; H1455-E1466 PolarHBondContact ND1-OE1 2.93Å; H1455-E1466 IonicContact ND1-OE2 3.86Å; H1455-E1466 PolarHBondContact ND1-OE2 3.36Å; A1463-E1466 PolarHBondContact O-N 3.02Å; V1464-E1466 VanDerWaalsContact C-N 3.26Å; V1464-E1466 PolarHBondContact O-N 3.04Å; E1466-V1468 PolarHBondContact O-N 3.13Å |
| 1467 | L | 39.2 | Very low | 38.8 | Very low | 52 Ų | 52 | 80.2 Ų | 80.2 | 27% | 0.272 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 0.8 | 171.7 | -86.4 | 163 | 0 | 0 | 0 | 113.6 | P1462 D1469 M1487 | P1462-L1467 HydrophobicContact CB-CD1 4.47Å; P1462-L1467 HydrophobicContact CB-CG 4.41Å; L1467-D1469 PolarHBondContact O-N 2.89Å; L1467-M1487 HydrophobicContact CD1-SD 4.43Å |
| 1468 | V | 44.8 | Very low | 39 | Very low | 48 Ų | 48 | 84.1 Ų | 84.1 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -8.5 | 178.2 | 174.4 | 0 | 0 | 0 | 0 | 113.4 | E1465 E1466 L1470 A1494 | E1465-V1468 WeakPolarHBondContact O-CG2 3.37Å; E1466-V1468 PolarHBondContact O-N 3.13Å; V1468-L1470 WeakPolarHBondContact O-CG 3.44Å; V1468-L1470 PolarHBondContact O-N 3.35Å; V1468-A1494 HydrophobicContact CB-CB 4.31Å; V1468-A1494 HydrophobicContact CG1-CB 3.95Å; V1468-A1494 HydrophobicContact CG2-CB 3.81Å |
| 1469 | D | 48.3 | Very low | 39.3 | Very low | 34 Ų | 34 | 80.4 Ų | 80.4 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | trans | -76.4 | 77.7 | 167.7 | -80.4 | -26 | 0 | 0 | 0 | 112.2 | K1406 L1467 H1471 R1472 | K1406-D1469 IonicContact NZ-OD1 3.73Å; K1406-D1469 PolarHBondContact NZ-OD1 3.33Å; L1467-D1469 PolarHBondContact O-N 2.89Å; D1469-H1471 PolarHBondContact O-N 3.16Å; D1469-R1472 PolarHBondContact O-N 2.93Å | ||
| 1470 | L | 44.3 | Very low | 39.5 | Very low | 4 Ų | 4 | 81.9 Ų | 81.9 | 2% | 0.021 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -13 | -178.4 | -75 | 150.6 | 0 | 0 | 0 | 116.6 | V1468 V1491 A1495 E1498 K1500 L1503 | V1468-L1470 WeakPolarHBondContact O-CG 3.44Å; V1468-L1470 PolarHBondContact O-N 3.35Å; L1470-V1491 HydrophobicContact CD2-CG1 4.06Å; L1470-A1495 HydrophobicContact CD1-CB 4.31Å; L1470-A1495 HydrophobicContact CD2-CB 3.6Å; L1470-E1498 HydrophobicContact CD1-CB 4.33Å; L1470-E1498 HydrophobicContact CD1-CG 4.22Å; L1470-E1498 WeakPolarHBondContact CD1-OE2 3.45Å; L1470-K1500 HydrophobicContact CB-CD 4.31Å; L1470-K1500 HydrophobicContact CD1-CD 4.05Å; L1470-L1503 HydrophobicContact CB-CD2 3.59Å; L1470-L1503 HydrophobicContact CD2-CD2 3.25Å; L1470-L1503 HydrophobicContact CD2-CG 3.85Å; L1470-L1503 HydrophobicContact CG-CD2 3.96Å |
| 1471 | H | 46.8 | Very low | 39.6 | Very low | 126 Ų | 126 | 84.1 Ų | 84.1 | 58% | 0.583 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -21.7 | 175.5 | -76.2 | 89.8 | 0 | 0 | 0 | 113.6 | D1469 | D1469-H1471 PolarHBondContact O-N 3.16Š|
| 1472 | R | 47.1 | Very low | 40 | Very low | 84 Ų | 84 | 88 Ų | 88 | 32% | 0.317 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -83.3 | -24.2 | -178.3 | -75.2 | -169.5 | -172.5 | 149.7 | 18.4 | 114.2 | E1390 G1438 D1469 M1474 G1475 A1476 | E1390-R1472 IonicContact OE1-CZ 3.16Å; E1390-R1472 IonicContact OE1-NE 2.77Å; E1390-R1472 PolarHBondContact OE1-NE 3.01Å; E1390-R1472 IonicContact OE1-NH2 3.15Å; E1390-R1472 PolarHBondContact OE1-NH2 3.2Å; E1390-R1472 IonicContact OE2-NH2 3.72Å; G1438-R1472 VanDerWaalsContact CA-NH2 3.31Å; G1438-R1472 VanDerWaalsContact N-CZ 3.25Å; D1469-R1472 PolarHBondContact O-N 2.93Å; R1472-M1474 VanDerWaalsContact C-N 3.28Å; R1472-M1474 PolarHBondContact O-N 3.28Å; R1472-G1475 CarbonylContact O-C 3.59Å; R1472-G1475 WeakPolarHBondContact O-CA 3.26Å; R1472-G1475 PolarHBondContact O-N 3.17Å; R1472-A1476 WeakPolarHBondContact O-CB 3.48Å; R1472-A1476 PolarHBondContact O-N 3.13Å |
| 1473 | I | 46.6 | Very low | 40.4 | Very low | 19 Ų | 19 | 89.5 Ų | 89.5 | 10% | 0.097 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.1 | -35.8 | -176.3 | -58.7 | 178.2 | 0 | 0 | 0 | 110.9 | G1475 A1476 Q1477 W1488 V1491 | I1473-G1475 VanDerWaalsContact C-N 3.32Å; I1473-G1475 PolarHBondContact O-N 3.46Å; I1473-A1476 PolarHBondContact O-N 2.81Å; I1473-Q1477 PolarHBondContact O-N 3.33Å; I1473-W1488 HydrophobicContact CG2-CH2 3.79Å; I1473-W1488 HydrophobicContact CG2-CZ3 3.65Å; I1473-V1491 HydrophobicContact CD1-CB 4.14Å; I1473-V1491 HydrophobicContact CD1-CG1 3.29Å; I1473-V1491 HydrophobicContact CD1-CG2 3.62Å |
| 1474 | M | 38.2 | Very low | 41.5 | Very low | 127 Ų | 127 | 93 Ų | 93 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.6 | -26.8 | 173.2 | -63.6 | -149.3 | -58.6 | 0 | 0 | 113.6 | R1472 | R1472-M1474 VanDerWaalsContact C-N 3.28Å; R1472-M1474 PolarHBondContact O-N 3.28Å |
| 1475 | G | 39.8 | Very low | 43 | Very low | 58 Ų | 58 | 97.9 Ų | 97.9 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -82 | -35 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1472 I1473 Q1477 | R1472-G1475 CarbonylContact O-C 3.59Å; R1472-G1475 WeakPolarHBondContact O-CA 3.26Å; R1472-G1475 PolarHBondContact O-N 3.17Å; I1473-G1475 VanDerWaalsContact C-N 3.32Å; I1473-G1475 PolarHBondContact O-N 3.46Å; G1475-Q1477 VanDerWaalsContact C-N 3.32Å |
| 1476 | A | 40.7 | Very low | 44.4 | Very low | 59 Ų | 59 | 96.3 Ų | 96.3 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -76 | -18.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1472 I1473 K1478 A1479 | R1472-A1476 WeakPolarHBondContact O-CB 3.48Å; R1472-A1476 PolarHBondContact O-N 3.13Å; I1473-A1476 PolarHBondContact O-N 2.81Å; A1476-K1478 PolarHBondContact O-N 2.94Å; A1476-A1479 PolarHBondContact O-N 2.88Å |
| 1477 | Q | 39.8 | Very low | 45.4 | Very low | 98 Ų | 98 | 94.9 Ų | 94.9 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -11.8 | 172.6 | -101 | -174.3 | -20.9 | 0 | 0 | 114.4 | I1473 G1475 H1506 | I1473-Q1477 PolarHBondContact O-N 3.33Å; G1475-Q1477 VanDerWaalsContact C-N 3.32Å; Q1477-H1506 PolarHBondContact NE2-NE2 2.87Å |
| 1478 | K | 35.7 | Very low | 47.2 | Very low | 201 Ų | 201 | 95.8 Ų | 95.8 | 87% | 0.874 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.2 | 171.7 | -76.1 | -172.9 | 174.8 | -176.4 | 0 | 115.1 | A1476 | A1476-K1478 PolarHBondContact O-N 2.94Š|
| 1479 | A | 33.6 | Very low | 48.8 | Very low | 73 Ų | 73 | 95.8 Ų | 95.8 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -128.3 | 101.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1476 C1481 | A1476-A1479 PolarHBondContact O-N 2.88Å; A1479-C1481 PolarHBondContact O-N 3.33Å |
| 1480 | E | 30 | Very low | 49.9 | Very low | 171 Ų | 171 | 98.5 Ų | 98.5 | 80% | 0.799 | 51% | 0.513 | S | S | * | . | trans | -1.8 | 91.5 | 166.2 | -58.5 | -176.5 | 127.4 | 0 | 0 | 118 | ||||
| 1481 | C | 35.2 | Very low | 51.1 | Low | 113 Ų | 113 | 98.9 Ų | 98.9 | 76% | 0.764 | 52% | 0.516 | S | S | * | . | trans | -118.6 | 105.9 | 156.8 | -86 | 0 | 0 | 0 | 0 | 109.1 | A1479 | A1479-C1481 PolarHBondContact O-N 3.33Š| ||
| 1482 | K | 38.5 | Very low | 52.8 | Low | 175 Ų | 175 | 92.9 Ų | 92.9 | 76% | 0.761 | 49% | 0.488 | S | S | * | . | trans | -104.1 | 122.1 | 175.3 | -71.2 | 169.7 | 176.6 | 163.1 | 0 | 107 | ||||
| 1483 | S | 45.5 | Very low | 54.5 | Low | 101 Ų | 101 | 91.2 Ų | 91.2 | 71% | 0.706 | 49% | 0.485 | S | S | * | . | trans | 79.3 | 135 | -175.7 | 73.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1484 | E | 58.5 | Low | 55.9 | Low | 120 Ų | 120 | 91 Ų | 91 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | cis | -147.5 | 143.4 | 35.7 | -64.4 | 171.8 | 152.1 | 0 | 0 | 110.7 | E1486 M1487 | E1484-E1486 PolarHBondContact O-N 2.96Å; E1484-E1486 VanDerWaalsContact O-N 3.1Å; E1484-M1487 PolarHBondContact O-N 3.34Å | ||
| 1485 | E | 71.8 | Confident | 57.9 | Low | 143 Ų | 143 | 85 Ų | 85 | 67% | 0.668 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -52.5 | -32.9 | -175.1 | -69.4 | 173 | -179 | 0 | 0 | 115 | M1487 W1488 E1489 I1511 | E1485-M1487 VanDerWaalsContact C-N 3.26Å; E1485-M1487 PolarHBondContact O-N 3.07Å; E1485-W1488 PolarHBondContact O-N 3.32Å; E1485-E1489 PolarHBondContact O-N 3.4Å; E1485-I1511 HydrophobicContact CB-CG2 4.39Å |
| 1486 | E | 68 | Low | 60.1 | Low | 144 Ų | 144 | 82.2 Ų | 82.2 | 67% | 0.673 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.7 | -36 | 179 | -63.2 | -176.6 | 177.1 | 0 | 0 | 112.1 | E1484 E1489 L1490 | E1484-E1486 PolarHBondContact O-N 2.96Å; E1484-E1486 VanDerWaalsContact O-N 3.1Å; E1486-E1489 PolarHBondContact O-N 3.5Å; E1486-L1490 VanDerWaalsContact O-CG 3.32Å; E1486-L1490 WeakPolarHBondContact O-CG 3.47Å; E1486-L1490 PolarHBondContact O-N 2.77Å |
| 1487 | M | 61.4 | Low | 62 | Low | 43 Ų | 43 | 81 Ų | 81 | 21% | 0.212 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 178.8 | -72.4 | -128.4 | -67.8 | 0 | 0 | 111.8 | I1461 V1464 L1467 E1484 E1485 E1489 L1490 V1491 | I1461-M1487 HydrophobicContact CG2-SD 4.37Å; V1464-M1487 HydrophobicContact CB-SD 4.41Å; V1464-M1487 HydrophobicContact CG1-CG 4.29Å; V1464-M1487 HydrophobicContact CG1-SD 4.11Å; V1464-M1487 HydrophobicContact CG2-CG 4.12Å; V1464-M1487 HydrophobicContact CG2-SD 3.45Å; V1464-M1487 WeakPolarHBondContact CG2-SD 3.46Å; L1467-M1487 HydrophobicContact CD1-SD 4.43Å; E1484-M1487 PolarHBondContact O-N 3.34Å; E1485-M1487 VanDerWaalsContact C-N 3.26Å; E1485-M1487 PolarHBondContact O-N 3.07Å; M1487-E1489 VanDerWaalsContact C-N 3.27Å; M1487-E1489 PolarHBondContact O-N 2.92Å; M1487-L1490 PolarHBondContact O-N 2.98Å; M1487-V1491 VanDerWaalsContact O-CG2 3.3Å; M1487-V1491 WeakPolarHBondContact O-CG2 3.48Å; M1487-V1491 PolarHBondContact O-N 3.24Å |
| 1488 | W | 75.8 | Confident | 63.7 | Low | 70 Ų | 70 | 77.3 Ų | 77.3 | 27% | 0.265 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.9 | -34 | 177.6 | -72.4 | 113 | 0 | 0 | 0 | 111.2 | I1473 E1485 V1491 A1492 C1507 L1510 I1511 | I1473-W1488 HydrophobicContact CG2-CH2 3.79Å; I1473-W1488 HydrophobicContact CG2-CZ3 3.65Å; E1485-W1488 PolarHBondContact O-N 3.32Å; W1488-V1491 PolarHBondContact O-N 3.31Å; W1488-A1492 VanDerWaalsContact O-CB 3.27Å; W1488-A1492 WeakPolarHBondContact O-CB 3.38Å; W1488-A1492 PolarHBondContact O-N 3.45Å; W1488-C1507 HydrophobicContact CE3-CB 4.37Å; W1488-L1510 HydrophobicContact CD2-CB 4.5Å; W1488-L1510 HydrophobicContact CD2-CD1 4.21Å; W1488-L1510 HydrophobicContact CE3-CD1 3.93Å; W1488-L1510 HydrophobicContact CH2-CD1 3.74Å; W1488-L1510 HydrophobicContact CZ2-CD1 4.01Å; W1488-L1510 HydrophobicContact CZ3-CD1 3.68Å; W1488-I1511 VanDerWaalsContact C-CD1 3.41Å; W1488-I1511 HydrophobicContact CB-CD1 3.73Å; W1488-I1511 HydrophobicContact CB-CG1 3.32Å; W1488-I1511 HydrophobicContact CG-CG1 4.36Å |
| 1489 | E | 79.8 | Confident | 66 | Low | 48 Ų | 48 | 69.3 Ų | 69.3 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 174.2 | -180 | 151.6 | -138.3 | 0 | 0 | 111.6 | E1485 E1486 M1487 V1491 A1492 L1493 I1511 K1513 K1516 | E1485-E1489 PolarHBondContact O-N 3.4Å; E1486-E1489 PolarHBondContact O-N 3.5Å; M1487-E1489 VanDerWaalsContact C-N 3.27Å; M1487-E1489 PolarHBondContact O-N 2.92Å; E1489-V1491 PolarHBondContact O-N 3.1Å; E1489-A1492 PolarHBondContact O-N 3.26Å; E1489-L1493 HydrophobicContact CG-CD1 4.08Å; E1489-L1493 HydrophobicContact CG-CG 4.4Å; E1489-L1493 WeakPolarHBondContact O-CB 3.48Å; E1489-L1493 VanDerWaalsContact O-CG 3.28Å; E1489-L1493 WeakPolarHBondContact O-CG 3.38Å; E1489-L1493 PolarHBondContact O-N 3.16Å; E1489-I1511 HydrophobicContact CB-CD1 3.98Å; E1489-I1511 VanDerWaalsContact N-CD1 3.29Å; E1489-K1513 IonicContact OE1-NZ 3.9Å; E1489-K1513 PolarHBondContact OE1-NZ 2.92Å; E1489-K1513 IonicContact OE2-NZ 3.09Å; E1489-K1513 PolarHBondContact OE2-NZ 3.41Å; E1489-K1516 IonicContact OE1-NZ 3.17Å; E1489-K1516 PolarHBondContact OE1-NZ 3.09Å |
| 1490 | L | 71.5 | Confident | 68.3 | Low | 91 Ų | 91 | 68.7 Ų | 68.7 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 175 | -72.4 | 167.6 | 0 | 0 | 0 | 111.9 | V1464 E1486 M1487 L1493 A1494 | V1464-L1490 HydrophobicContact CB-CD1 4.18Å; V1464-L1490 HydrophobicContact CG1-CB 3.9Å; V1464-L1490 HydrophobicContact CG1-CD1 3.42Å; V1464-L1490 VanDerWaalsContact CG1-CD1 3.42Å; V1464-L1490 HydrophobicContact CG1-CG 4.3Å; E1486-L1490 VanDerWaalsContact O-CG 3.32Å; E1486-L1490 WeakPolarHBondContact O-CG 3.47Å; E1486-L1490 PolarHBondContact O-N 2.77Å; M1487-L1490 PolarHBondContact O-N 2.98Å; L1490-L1493 PolarHBondContact O-N 2.89Å; L1490-A1494 WeakPolarHBondContact O-CB 3.28Å; L1490-A1494 PolarHBondContact O-N 3.14Å |
| 1491 | V | 69.8 | Low | 71.1 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L1470 I1473 M1487 W1488 E1489 A1494 A1495 C1507 | L1470-V1491 HydrophobicContact CD2-CG1 4.06Å; I1473-V1491 HydrophobicContact CD1-CB 4.14Å; I1473-V1491 HydrophobicContact CD1-CG1 3.29Å; I1473-V1491 HydrophobicContact CD1-CG2 3.62Å; M1487-V1491 VanDerWaalsContact O-CG2 3.3Å; M1487-V1491 WeakPolarHBondContact O-CG2 3.48Å; M1487-V1491 PolarHBondContact O-N 3.24Å; W1488-V1491 PolarHBondContact O-N 3.31Å; E1489-V1491 PolarHBondContact O-N 3.1Å; V1491-A1494 PolarHBondContact O-N 3.19Å; V1491-A1495 WeakPolarHBondContact O-CB 3.5Å; V1491-A1495 PolarHBondContact O-N 3.23Å; V1491-C1507 VanDerWaalsContact CG1-SG 3.55Å |
| 1492 | A | 81.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W1488 E1489 A1495 L1496 C1507 F1508 I1511 | W1488-A1492 VanDerWaalsContact O-CB 3.27Å; W1488-A1492 WeakPolarHBondContact O-CB 3.38Å; W1488-A1492 PolarHBondContact O-N 3.45Å; E1489-A1492 PolarHBondContact O-N 3.26Å; A1492-A1495 WeakPolarHBondContact O-CB 3.03Å; A1492-A1495 PolarHBondContact O-N 3.41Å; A1492-L1496 VanDerWaalsContact O-CG 3.26Å; A1492-L1496 WeakPolarHBondContact O-CG 3.4Å; A1492-L1496 PolarHBondContact O-N 3.28Å; A1492-C1507 HydrophobicContact CB-CB 3.55Å; A1492-F1508 HydrophobicContact CB-CD1 3.95Å; A1492-F1508 HydrophobicContact CB-CD2 3.99Å; A1492-F1508 HydrophobicContact CB-CE1 3.5Å; A1492-F1508 HydrophobicContact CB-CE2 3.57Å; A1492-F1508 HydrophobicContact CB-CG 4.15Å; A1492-F1508 HydrophobicContact CB-CZ 3.31Å; A1492-I1511 HydrophobicContact CB-CD1 4.5Å |
| 1493 | L | 84 | Confident | 75.6 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.7 | -68.8 | 172.5 | 0 | 0 | 0 | 111.6 | E1489 L1490 A1495 L1496 D1497 M1540 | E1489-L1493 HydrophobicContact CG-CD1 4.08Å; E1489-L1493 HydrophobicContact CG-CG 4.4Å; E1489-L1493 WeakPolarHBondContact O-CB 3.48Å; E1489-L1493 VanDerWaalsContact O-CG 3.28Å; E1489-L1493 WeakPolarHBondContact O-CG 3.38Å; E1489-L1493 PolarHBondContact O-N 3.16Å; L1490-L1493 PolarHBondContact O-N 2.89Å; L1493-A1495 VanDerWaalsContact C-N 3.33Å; L1493-A1495 PolarHBondContact O-N 2.85Å; L1493-L1496 HydrophobicContact CD2-CD1 4.29Å; L1493-L1496 WeakPolarHBondContact O-CB 3.31Å; L1493-L1496 PolarHBondContact O-N 3.24Å; L1493-D1497 PolarHBondContact O-N 3.25Å; L1493-M1540 HydrophobicContact CB-CE 3.75Å; L1493-M1540 HydrophobicContact CD2-CE 3.8Å; L1493-M1540 HydrophobicContact CD2-CG 4.28Å; L1493-M1540 HydrophobicContact CG-CE 4.37Å; L1493-M1540 WeakPolarHBondContact O-CE 3.5Å |
| 1494 | A | 74.1 | Confident | 77.5 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1468 L1490 V1491 L1496 D1497 E1498 | V1468-A1494 HydrophobicContact CB-CB 4.31Å; V1468-A1494 HydrophobicContact CG1-CB 3.95Å; V1468-A1494 HydrophobicContact CG2-CB 3.81Å; L1490-A1494 WeakPolarHBondContact O-CB 3.28Å; L1490-A1494 PolarHBondContact O-N 3.14Å; V1491-A1494 PolarHBondContact O-N 3.19Å; A1494-L1496 VanDerWaalsContact C-N 3.33Å; A1494-D1497 PolarHBondContact O-N 2.94Å; A1494-E1498 PolarHBondContact O-N 3.39Å |
| 1495 | A | 80.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1470 V1491 A1492 L1493 E1498 L1499 K1500 L1503 A1504 | L1470-A1495 HydrophobicContact CD1-CB 4.31Å; L1470-A1495 HydrophobicContact CD2-CB 3.6Å; V1491-A1495 WeakPolarHBondContact O-CB 3.5Å; V1491-A1495 PolarHBondContact O-N 3.23Å; A1492-A1495 WeakPolarHBondContact O-CB 3.03Å; A1492-A1495 PolarHBondContact O-N 3.41Å; L1493-A1495 VanDerWaalsContact C-N 3.33Å; L1493-A1495 PolarHBondContact O-N 2.85Å; A1495-E1498 CarbonylContact O-C 3.54Å; A1495-E1498 PolarHBondContact O-N 2.87Å; A1495-L1499 PolarHBondContact O-N 3.29Å; A1495-K1500 HydrophobicContact CB-CB 4.45Å; A1495-K1500 WeakPolarHBondContact O-CA 3.35Å; A1495-K1500 PolarHBondContact O-N 2.89Å; A1495-L1503 HydrophobicContact CB-CB 4.31Å; A1495-L1503 HydrophobicContact CB-CG 4.3Å; A1495-A1504 HydrophobicContact CB-CB 3.94Å |
| 1496 | L | 86.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 175.2 | -67.6 | 166.1 | 0 | 0 | 0 | 112.5 | I1412 A1492 L1493 A1494 E1498 L1499 A1504 F1508 L1520 I1536 M1539 M1540 | I1412-L1496 WeakPolarHBondContact CG1-O 3.3Å; A1492-L1496 VanDerWaalsContact O-CG 3.26Å; A1492-L1496 WeakPolarHBondContact O-CG 3.4Å; A1492-L1496 PolarHBondContact O-N 3.28Å; L1493-L1496 HydrophobicContact CD2-CD1 4.29Å; L1493-L1496 WeakPolarHBondContact O-CB 3.31Å; L1493-L1496 PolarHBondContact O-N 3.24Å; A1494-L1496 VanDerWaalsContact C-N 3.33Å; L1496-E1498 VanDerWaalsContact C-N 3.27Å; L1496-E1498 PolarHBondContact O-N 3.45Å; L1496-L1499 PolarHBondContact O-N 2.89Å; L1496-A1504 HydrophobicContact CD2-CB 3.53Å; L1496-A1504 HydrophobicContact CG-CB 3.65Å; L1496-F1508 HydrophobicContact CD1-CE2 3.74Å; L1496-F1508 HydrophobicContact CD1-CZ 3.98Å; L1496-F1508 HydrophobicContact CG-CE2 4.45Å; L1496-L1520 HydrophobicContact CD2-CD1 4.04Å; L1496-L1520 HydrophobicContact CD2-CD2 3.42Å; L1496-L1520 VanDerWaalsContact CD2-CD2 3.42Å; L1496-L1520 HydrophobicContact CD2-CG 4.34Å; L1496-I1536 HydrophobicContact CB-CG2 3.93Å; L1496-I1536 HydrophobicContact CD2-CG2 4.24Å; L1496-M1539 HydrophobicContact CD1-CE 3.19Å; L1496-M1539 HydrophobicContact CD2-CE 3.43Å; L1496-M1539 VanDerWaalsContact CD2-CE 3.43Å; L1496-M1539 HydrophobicContact CG-CE 3.88Å; L1496-M1540 HydrophobicContact CB-CE 4.18Å; L1496-M1540 HydrophobicContact CB-SD 4.13Å; L1496-M1540 HydrophobicContact CD1-CG 4.48Å |
| 1497 | D | 80.7 | Confident | 80.1 | Confident | 35 Ų | 35 | 33 Ų | 33 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -36.9 | 175.8 | -167.5 | 42.6 | 0 | 0 | 0 | 112.1 | T1411 I1412 R1416 L1493 A1494 L1499 | T1411-D1497 CarbonylContact C-O 3.57Å; T1411-D1497 WeakPolarHBondContact CA-O 3.34Å; T1411-D1497 VanDerWaalsContact CB-O 3.28Å; T1411-D1497 WeakPolarHBondContact CB-O 3.1Å; I1412-D1497 HydrophobicContact CD1-CB 4.42Å; I1412-D1497 PolarHBondContact N-O 3.33Å; R1416-D1497 IonicContact CZ-OD2 2.92Å; R1416-D1497 IonicContact NH1-OD2 2.86Å; R1416-D1497 IonicContact NH2-OD2 2.66Å; R1416-D1497 PolarHBondContact NH2-OD2 3.03Å; L1493-D1497 PolarHBondContact O-N 3.25Å; A1494-D1497 PolarHBondContact O-N 2.94Å; D1497-L1499 VanDerWaalsContact C-N 3.31Å; D1497-L1499 PolarHBondContact O-N 3.13Å |
| 1498 | E | 75.6 | Confident | 81.4 | Confident | 19 Ų | 19 | 31 Ų | 31 | 9% | 0.089 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 10.7 | 173 | -64.1 | -164.3 | 166.8 | 0 | 0 | 114.3 | K1406 T1408 L1470 A1494 A1495 L1496 K1500 | K1406-E1498 IonicContact NZ-OE1 3.13Å; K1406-E1498 PolarHBondContact NZ-OE1 3.04Å; T1408-E1498 HydrophobicContact CG2-CG 4.2Å; L1470-E1498 HydrophobicContact CD1-CB 4.33Å; L1470-E1498 HydrophobicContact CD1-CG 4.22Å; L1470-E1498 WeakPolarHBondContact CD1-OE2 3.45Å; A1494-E1498 PolarHBondContact O-N 3.39Å; A1495-E1498 CarbonylContact O-C 3.54Å; A1495-E1498 PolarHBondContact O-N 2.87Å; L1496-E1498 VanDerWaalsContact C-N 3.27Å; L1496-E1498 PolarHBondContact O-N 3.45Å; E1498-K1500 HydrophobicContact CB-CG 4.3Å; E1498-K1500 PolarHBondContact O-N 3.4Å; E1498-K1500 VanDerWaalsContact O-N 3.13Å; E1498-K1500 VanDerWaalsContact OE2-CE 3.3Å; E1498-K1500 WeakPolarHBondContact OE2-CE 3.44Å; E1498-K1500 IonicContact OE2-NZ 3.78Å; E1498-K1500 PolarHBondContact OE2-NZ 3.41Å |
| 1499 | L | 83 | Confident | 81.9 | Confident | 34 Ų | 34 | 32.6 Ų | 32.6 | 18% | 0.178 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 26.4 | -176.2 | -58.1 | 179.2 | 0 | 0 | 0 | 114.6 | N1410 I1412 A1495 L1496 D1497 I1501 R1533 I1536 | N1410-L1499 HydrophobicContact CB-CD1 4.11Å; N1410-L1499 VanDerWaalsContact O-CD1 3.24Å; N1410-L1499 WeakPolarHBondContact O-CD1 3.34Å; N1410-L1499 VanDerWaalsContact O-CG 3.31Å; N1410-L1499 WeakPolarHBondContact O-CG 3.46Å; I1412-L1499 HydrophobicContact CG1-CD2 4.07Å; A1495-L1499 PolarHBondContact O-N 3.29Å; L1496-L1499 PolarHBondContact O-N 2.89Å; D1497-L1499 VanDerWaalsContact C-N 3.31Å; D1497-L1499 PolarHBondContact O-N 3.13Å; L1499-I1501 VanDerWaalsContact C-N 3.3Å; L1499-I1501 PolarHBondContact O-N 2.9Å; L1499-I1501 VanDerWaalsContact O-N 3.13Å; L1499-R1533 HydrophobicContact CD1-CG 3.79Å; L1499-R1533 HydrophobicContact CD2-CG 3.98Å; L1499-I1536 HydrophobicContact CD2-CD1 3.43Å; L1499-I1536 VanDerWaalsContact CD2-CD1 3.43Å |
| 1500 | K | 82.9 | Confident | 81.9 | Confident | 60 Ų | 60 | 34.1 Ų | 34.1 | 26% | 0.261 | 17% | 0.174 | S | C | . | . | trans | -87 | 69 | 173.9 | -66.4 | -176.6 | -175.3 | 153.1 | 0 | 110.6 | L1470 A1495 E1498 D1502 L1503 A1504 | L1470-K1500 HydrophobicContact CB-CD 4.31Å; L1470-K1500 HydrophobicContact CD1-CD 4.05Å; A1495-K1500 HydrophobicContact CB-CB 4.45Å; A1495-K1500 WeakPolarHBondContact O-CA 3.35Å; A1495-K1500 PolarHBondContact O-N 2.89Å; E1498-K1500 HydrophobicContact CB-CG 4.3Å; E1498-K1500 PolarHBondContact O-N 3.4Å; E1498-K1500 VanDerWaalsContact O-N 3.13Å; E1498-K1500 VanDerWaalsContact OE2-CE 3.3Å; E1498-K1500 WeakPolarHBondContact OE2-CE 3.44Å; E1498-K1500 IonicContact OE2-NZ 3.78Å; E1498-K1500 PolarHBondContact OE2-NZ 3.41Å; K1500-D1502 VanDerWaalsContact C-N 3.32Å; K1500-D1502 PolarHBondContact O-N 3.45Å; K1500-L1503 HydrophobicContact CB-CB 4.25Å; K1500-L1503 PolarHBondContact O-N 3.32Å; K1500-L1503 VanDerWaalsContact O-N 3.15Å; K1500-A1504 PolarHBondContact O-N 3.25Å | ||
| 1501 | I | 87.8 | Confident | 82.5 | Confident | 13 Ų | 13 | 30.8 Ų | 30.8 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.8 | -42.5 | -173.5 | -61 | 171 | 0 | 0 | 0 | 112 | L1499 L1503 A1504 I1505 L1520 K1524 L1532 I1536 | L1499-I1501 VanDerWaalsContact C-N 3.3Å; L1499-I1501 PolarHBondContact O-N 2.9Å; L1499-I1501 VanDerWaalsContact O-N 3.13Å; I1501-L1503 VanDerWaalsContact C-N 3.31Å; I1501-L1503 PolarHBondContact O-N 2.9Å; I1501-A1504 WeakPolarHBondContact O-CB 3.46Å; I1501-A1504 PolarHBondContact O-N 2.81Å; I1501-I1505 HydrophobicContact CG2-CD1 3.77Å; I1501-I1505 HydrophobicContact CG2-CG1 4.31Å; I1501-I1505 VanDerWaalsContact O-CG1 3.32Å; I1501-I1505 WeakPolarHBondContact O-CG1 3.08Å; I1501-I1505 PolarHBondContact O-N 2.93Å; I1501-L1520 HydrophobicContact CG2-CB 4.35Å; I1501-L1520 HydrophobicContact CG2-CD2 3.86Å; I1501-K1524 HydrophobicContact CG2-CB 4.26Å; I1501-K1524 HydrophobicContact CG2-CG 4.45Å; I1501-L1532 HydrophobicContact CD1-CD1 3.72Å; I1501-L1532 HydrophobicContact CD1-CD2 3.89Å; I1501-L1532 HydrophobicContact CD1-CG 4.16Å; I1501-I1536 HydrophobicContact CD1-CD1 4.06Å; I1501-I1536 HydrophobicContact CG1-CD1 4.09Å |
| 1502 | D | 86.8 | Confident | 83.1 | Confident | 97 Ų | 97 | 33 Ų | 33 | 52% | 0.519 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 179.5 | -63.3 | -57.4 | 0 | 0 | 0 | 112.9 | K1500 I1505 H1506 K1524 | K1500-D1502 VanDerWaalsContact C-N 3.32Å; K1500-D1502 PolarHBondContact O-N 3.45Å; D1502-I1505 PolarHBondContact O-N 3.1Å; D1502-H1506 PolarHBondContact O-N 3.33Å; D1502-K1524 WeakPolarHBondContact OD1-CE 3.21Å; D1502-K1524 IonicContact OD1-NZ 3.23Å; D1502-K1524 PolarHBondContact OD1-NZ 3.44Å |
| 1503 | L | 81.1 | Confident | 83.3 | Confident | 29 Ų | 29 | 36 Ų | 36 | 15% | 0.152 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73.9 | -35.7 | 178.6 | -175.5 | 52.5 | 0 | 0 | 0 | 111.2 | L1470 A1495 K1500 I1501 H1506 C1507 | L1470-L1503 HydrophobicContact CB-CD2 3.59Å; L1470-L1503 HydrophobicContact CD2-CD2 3.25Å; L1470-L1503 HydrophobicContact CD2-CG 3.85Å; L1470-L1503 HydrophobicContact CG-CD2 3.96Å; A1495-L1503 HydrophobicContact CB-CB 4.31Å; A1495-L1503 HydrophobicContact CB-CG 4.3Å; K1500-L1503 HydrophobicContact CB-CB 4.25Å; K1500-L1503 PolarHBondContact O-N 3.32Å; K1500-L1503 VanDerWaalsContact O-N 3.15Å; I1501-L1503 VanDerWaalsContact C-N 3.31Å; I1501-L1503 PolarHBondContact O-N 2.9Å; L1503-H1506 PolarHBondContact O-N 3.48Å; L1503-C1507 PolarHBondContact O-N 2.71Å; L1503-C1507 PolarHBondContact O-SG 3.12Å |
| 1504 | A | 86.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1495 L1496 K1500 I1501 H1506 C1507 F1508 L1520 | A1495-A1504 HydrophobicContact CB-CB 3.94Å; L1496-A1504 HydrophobicContact CD2-CB 3.53Å; L1496-A1504 HydrophobicContact CG-CB 3.65Å; K1500-A1504 PolarHBondContact O-N 3.25Å; I1501-A1504 WeakPolarHBondContact O-CB 3.46Å; I1501-A1504 PolarHBondContact O-N 2.81Å; A1504-H1506 VanDerWaalsContact C-N 3.35Å; A1504-H1506 PolarHBondContact O-N 2.77Å; A1504-C1507 PolarHBondContact O-N 3.06Å; A1504-F1508 HydrophobicContact CB-CD2 4.41Å; A1504-F1508 HydrophobicContact CB-CE2 4.22Å; A1504-F1508 WeakPolarHBondContact O-CD2 3.33Å; A1504-F1508 PolarHBondContact O-N 3.11Å; A1504-L1520 HydrophobicContact CB-CD1 4.09Å |
| 1505 | I | 88.2 | Confident | 84 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56 | -49.8 | 174.4 | -71.6 | 161.4 | 0 | 0 | 0 | 110 | I1501 D1502 C1507 F1508 Q1509 V1517 L1520 N1521 K1524 | I1501-I1505 HydrophobicContact CG2-CD1 3.77Å; I1501-I1505 HydrophobicContact CG2-CG1 4.31Å; I1501-I1505 VanDerWaalsContact O-CG1 3.32Å; I1501-I1505 WeakPolarHBondContact O-CG1 3.08Å; I1501-I1505 PolarHBondContact O-N 2.93Å; D1502-I1505 PolarHBondContact O-N 3.1Å; I1505-C1507 VanDerWaalsContact C-N 3.34Å; I1505-C1507 PolarHBondContact O-N 2.98Å; I1505-F1508 PolarHBondContact O-N 3.43Å; I1505-Q1509 HydrophobicContact CG2-CG 4.27Å; I1505-Q1509 WeakPolarHBondContact O-CB 3.37Å; I1505-Q1509 VanDerWaalsContact O-CG 3.24Å; I1505-Q1509 WeakPolarHBondContact O-CG 3.33Å; I1505-Q1509 PolarHBondContact O-N 3.11Å; I1505-V1517 HydrophobicContact CG2-CG1 4.19Å; I1505-L1520 HydrophobicContact CD1-CB 4.16Å; I1505-L1520 HydrophobicContact CG1-CB 3.6Å; I1505-L1520 HydrophobicContact CG1-CD1 4.25Å; I1505-N1521 VanDerWaalsContact CD1-OD1 3.28Å; I1505-N1521 WeakPolarHBondContact CD1-OD1 3.26Å; I1505-K1524 HydrophobicContact CD1-CD 4.29Å |
| 1506 | H | 82.6 | Confident | 84.4 | Confident | 69 Ų | 69 | 43.4 Ų | 43.4 | 32% | 0.319 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 178 | -170.7 | 57.6 | 0 | 0 | 0 | 112.3 | Q1477 D1502 L1503 A1504 Q1509 L1510 | Q1477-H1506 PolarHBondContact NE2-NE2 2.87Å; D1502-H1506 PolarHBondContact O-N 3.33Å; L1503-H1506 PolarHBondContact O-N 3.48Å; A1504-H1506 VanDerWaalsContact C-N 3.35Å; A1504-H1506 PolarHBondContact O-N 2.77Å; H1506-Q1509 WeakPolarHBondContact O-CB 3.12Å; H1506-Q1509 PolarHBondContact O-N 3.41Å; H1506-L1510 VanDerWaalsContact O-CG 3.31Å; H1506-L1510 WeakPolarHBondContact O-CG 3.5Å; H1506-L1510 PolarHBondContact O-N 3.44Å |
| 1507 | C | 82.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -42.4 | 177 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | W1488 V1491 A1492 L1503 A1504 I1505 Q1509 L1510 I1511 | W1488-C1507 HydrophobicContact CE3-CB 4.37Å; V1491-C1507 VanDerWaalsContact CG1-SG 3.55Å; A1492-C1507 HydrophobicContact CB-CB 3.55Å; L1503-C1507 PolarHBondContact O-N 2.71Å; L1503-C1507 PolarHBondContact O-SG 3.12Å; A1504-C1507 PolarHBondContact O-N 3.06Å; I1505-C1507 VanDerWaalsContact C-N 3.34Å; I1505-C1507 PolarHBondContact O-N 2.98Å; C1507-Q1509 VanDerWaalsContact C-N 3.33Å; C1507-Q1509 PolarHBondContact O-N 2.92Å; C1507-L1510 WeakPolarHBondContact O-CB 3.46Å; C1507-L1510 PolarHBondContact O-N 3.37Å; C1507-I1511 WeakPolarHBondContact O-CD1 3.42Å; C1507-I1511 WeakPolarHBondContact O-CG1 3.28Å; C1507-I1511 PolarHBondContact O-N 2.99Å |
| 1508 | F | 88.3 | Confident | 85 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.6 | -28.6 | 175.9 | -68.8 | -57.3 | 0 | 0 | 0 | 113.3 | A1492 L1496 A1504 I1505 I1511 G1512 K1513 K1516 V1517 L1520 | A1492-F1508 HydrophobicContact CB-CD1 3.95Å; A1492-F1508 HydrophobicContact CB-CD2 3.99Å; A1492-F1508 HydrophobicContact CB-CE1 3.5Å; A1492-F1508 HydrophobicContact CB-CE2 3.57Å; A1492-F1508 HydrophobicContact CB-CG 4.15Å; A1492-F1508 HydrophobicContact CB-CZ 3.31Å; L1496-F1508 HydrophobicContact CD1-CE2 3.74Å; L1496-F1508 HydrophobicContact CD1-CZ 3.98Å; L1496-F1508 HydrophobicContact CG-CE2 4.45Å; A1504-F1508 HydrophobicContact CB-CD2 4.41Å; A1504-F1508 HydrophobicContact CB-CE2 4.22Å; A1504-F1508 WeakPolarHBondContact O-CD2 3.33Å; A1504-F1508 PolarHBondContact O-N 3.11Å; I1505-F1508 PolarHBondContact O-N 3.43Å; F1508-I1511 HydrophobicContact CD1-CD1 3.79Å; F1508-I1511 HydrophobicContact CE1-CD1 4.23Å; F1508-I1511 PolarHBondContact O-N 3.45Å; F1508-G1512 PolarHBondContact O-N 3.03Å; F1508-K1513 HydrophobicContact CB-CB 4.49Å; F1508-K1513 HydrophobicContact CD1-CB 4.14Å; F1508-K1513 HydrophobicContact CD1-CD 4.37Å; F1508-K1513 PolarHBondContact O-N 3.4Å; F1508-K1516 HydrophobicContact CB-CB 4.36Å; F1508-K1516 HydrophobicContact CD1-CB 4.11Å; F1508-K1516 HydrophobicContact CD1-CD 3.58Å; F1508-K1516 HydrophobicContact CD1-CG 4.47Å; F1508-K1516 HydrophobicContact CD2-CB 4.01Å; F1508-K1516 HydrophobicContact CD2-CD 4.43Å; F1508-K1516 HydrophobicContact CE1-CB 4.46Å; F1508-K1516 HydrophobicContact CE1-CD 3.25Å; F1508-K1516 HydrophobicContact CE1-CG 4.47Å; F1508-K1516 HydrophobicContact CE2-CB 4.34Å; F1508-K1516 HydrophobicContact CE2-CD 4.14Å; F1508-K1516 HydrophobicContact CG-CB 3.9Å; F1508-K1516 HydrophobicContact CG-CD 4.19Å; F1508-K1516 HydrophobicContact CZ-CD 3.56Å; F1508-V1517 HydrophobicContact CB-CG2 3.56Å; F1508-L1520 HydrophobicContact CD2-CD1 3.47Å; F1508-L1520 VanDerWaalsContact CD2-CD1 3.47Å; F1508-L1520 HydrophobicContact CE2-CD1 3.66Å |
| 1509 | Q | 85.7 | Confident | 85.7 | Confident | 103 Ų | 103 | 53.4 Ų | 53.4 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 168.7 | -75.2 | 173 | -11.2 | 0 | 0 | 111.3 | I1505 H1506 C1507 G1512 V1517 | I1505-Q1509 HydrophobicContact CG2-CG 4.27Å; I1505-Q1509 WeakPolarHBondContact O-CB 3.37Å; I1505-Q1509 VanDerWaalsContact O-CG 3.24Å; I1505-Q1509 WeakPolarHBondContact O-CG 3.33Å; I1505-Q1509 PolarHBondContact O-N 3.11Å; H1506-Q1509 WeakPolarHBondContact O-CB 3.12Å; H1506-Q1509 PolarHBondContact O-N 3.41Å; C1507-Q1509 VanDerWaalsContact C-N 3.33Å; C1507-Q1509 PolarHBondContact O-N 2.92Å; Q1509-G1512 PolarHBondContact O-N 3.12Å; Q1509-V1517 HydrophobicContact CG-CG1 4.06Å; Q1509-V1517 HydrophobicContact CG-CG2 3.8Å |
| 1510 | L | 80 | Confident | 86.2 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 175.6 | -68.9 | 171.7 | 0 | 0 | 0 | 113.1 | W1488 H1506 C1507 | W1488-L1510 HydrophobicContact CD2-CB 4.5Å; W1488-L1510 HydrophobicContact CD2-CD1 4.21Å; W1488-L1510 HydrophobicContact CE3-CD1 3.93Å; W1488-L1510 HydrophobicContact CH2-CD1 3.74Å; W1488-L1510 HydrophobicContact CZ2-CD1 4.01Å; W1488-L1510 HydrophobicContact CZ3-CD1 3.68Å; H1506-L1510 VanDerWaalsContact O-CG 3.31Å; H1506-L1510 WeakPolarHBondContact O-CG 3.5Å; H1506-L1510 PolarHBondContact O-N 3.44Å; C1507-L1510 WeakPolarHBondContact O-CB 3.46Å; C1507-L1510 PolarHBondContact O-N 3.37Å |
| 1511 | I | 83.9 | Confident | 86.5 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.3 | -29 | 175.4 | -57.3 | 155.7 | 0 | 0 | 0 | 111.6 | E1485 W1488 E1489 A1492 C1507 F1508 K1513 | E1485-I1511 HydrophobicContact CB-CG2 4.39Å; W1488-I1511 VanDerWaalsContact C-CD1 3.41Å; W1488-I1511 HydrophobicContact CB-CD1 3.73Å; W1488-I1511 HydrophobicContact CB-CG1 3.32Å; W1488-I1511 HydrophobicContact CG-CG1 4.36Å; E1489-I1511 HydrophobicContact CB-CD1 3.98Å; E1489-I1511 VanDerWaalsContact N-CD1 3.29Å; A1492-I1511 HydrophobicContact CB-CD1 4.5Å; C1507-I1511 WeakPolarHBondContact O-CD1 3.42Å; C1507-I1511 WeakPolarHBondContact O-CG1 3.28Å; C1507-I1511 PolarHBondContact O-N 2.99Å; F1508-I1511 HydrophobicContact CD1-CD1 3.79Å; F1508-I1511 HydrophobicContact CE1-CD1 4.23Å; F1508-I1511 PolarHBondContact O-N 3.45Å; I1511-K1513 HydrophobicContact CB-CG 4.42Å; I1511-K1513 HydrophobicContact CG2-CD 4.3Å; I1511-K1513 HydrophobicContact CG2-CG 3.84Å |
| 1512 | G | 82.4 | Confident | 86.6 | Confident | 59 Ų | 59 | 58 Ų | 58 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 20.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1508 Q1509 A1514 | F1508-G1512 PolarHBondContact O-N 3.03Å; Q1509-G1512 PolarHBondContact O-N 3.12Å; G1512-A1514 PolarHBondContact O-N 3.12Å; G1512-A1514 VanDerWaalsContact O-N 3.15Å |
| 1513 | K | 86.5 | Confident | 86.7 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | trans | -84.8 | 77.5 | 174.4 | -65.4 | -164.4 | -176.4 | -168.3 | 0 | 111.2 | E1489 F1508 I1511 D1515 K1516 V1517 | E1489-K1513 IonicContact OE1-NZ 3.9Å; E1489-K1513 PolarHBondContact OE1-NZ 2.92Å; E1489-K1513 IonicContact OE2-NZ 3.09Å; E1489-K1513 PolarHBondContact OE2-NZ 3.41Å; F1508-K1513 HydrophobicContact CB-CB 4.49Å; F1508-K1513 HydrophobicContact CD1-CB 4.14Å; F1508-K1513 HydrophobicContact CD1-CD 4.37Å; F1508-K1513 PolarHBondContact O-N 3.4Å; I1511-K1513 HydrophobicContact CB-CG 4.42Å; I1511-K1513 HydrophobicContact CG2-CD 4.3Å; I1511-K1513 HydrophobicContact CG2-CG 3.84Å; K1513-D1515 VanDerWaalsContact C-N 3.29Å; K1513-D1515 VanDerWaalsContact C-OD1 3.31Å; K1513-D1515 PolarHBondContact O-N 3.05Å; K1513-K1516 HydrophobicContact CB-CB 4.28Å; K1513-K1516 HydrophobicContact CB-CD 4.29Å; K1513-K1516 HydrophobicContact CB-CG 4.31Å; K1513-K1516 HydrophobicContact CD-CD 3.97Å; K1513-K1516 PolarHBondContact O-N 3.4Å; K1513-V1517 WeakPolarHBondContact O-CG2 3.44Å; K1513-V1517 PolarHBondContact O-N 3.37Å; K1513-V1517 VanDerWaalsContact O-N 3.14Å | ||
| 1514 | A | 86.7 | Confident | 86.9 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 62% | 0.62 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62 | -31.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1512 V1517 W1518 | G1512-A1514 PolarHBondContact O-N 3.12Å; G1512-A1514 VanDerWaalsContact O-N 3.15Å; A1514-V1517 PolarHBondContact O-N 3.21Å; A1514-W1518 WeakPolarHBondContact O-CB 3.49Å; A1514-W1518 PolarHBondContact O-N 3.47Å |
| 1515 | D | 85.6 | Confident | 86.8 | Confident | 110 Ų | 110 | 65.2 Ų | 65.2 | 59% | 0.588 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60 | -48.1 | 174.2 | 59.7 | -31.5 | 0 | 0 | 0 | 112 | K1513 W1518 Y1519 | K1513-D1515 VanDerWaalsContact C-N 3.29Å; K1513-D1515 VanDerWaalsContact C-OD1 3.31Å; K1513-D1515 PolarHBondContact O-N 3.05Å; D1515-W1518 PolarHBondContact O-N 2.94Å; D1515-Y1519 WeakPolarHBondContact O-CB 3.26Å; D1515-Y1519 PolarHBondContact O-N 3.13Å |
| 1516 | K | 89.5 | Confident | 86.7 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 15% | 0.148 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 176.7 | -66.3 | -171.6 | 175.7 | -172.9 | 0 | 111.6 | E1489 F1508 K1513 Y1519 L1520 M1539 | E1489-K1516 IonicContact OE1-NZ 3.17Å; E1489-K1516 PolarHBondContact OE1-NZ 3.09Å; F1508-K1516 HydrophobicContact CB-CB 4.36Å; F1508-K1516 HydrophobicContact CD1-CB 4.11Å; F1508-K1516 HydrophobicContact CD1-CD 3.58Å; F1508-K1516 HydrophobicContact CD1-CG 4.47Å; F1508-K1516 HydrophobicContact CD2-CB 4.01Å; F1508-K1516 HydrophobicContact CD2-CD 4.43Å; F1508-K1516 HydrophobicContact CE1-CB 4.46Å; F1508-K1516 HydrophobicContact CE1-CD 3.25Å; F1508-K1516 HydrophobicContact CE1-CG 4.47Å; F1508-K1516 HydrophobicContact CE2-CB 4.34Å; F1508-K1516 HydrophobicContact CE2-CD 4.14Å; F1508-K1516 HydrophobicContact CG-CB 3.9Å; F1508-K1516 HydrophobicContact CG-CD 4.19Å; F1508-K1516 HydrophobicContact CZ-CD 3.56Å; K1513-K1516 HydrophobicContact CB-CB 4.28Å; K1513-K1516 HydrophobicContact CB-CD 4.29Å; K1513-K1516 HydrophobicContact CB-CG 4.31Å; K1513-K1516 HydrophobicContact CD-CD 3.97Å; K1513-K1516 PolarHBondContact O-N 3.4Å; K1516-Y1519 PolarHBondContact O-N 3.03Å; K1516-L1520 VanDerWaalsContact O-CB 3.24Å; K1516-L1520 WeakPolarHBondContact O-CB 3.43Å; K1516-L1520 VanDerWaalsContact O-CG 3.3Å; K1516-L1520 WeakPolarHBondContact O-CG 3.26Å; K1516-L1520 PolarHBondContact O-N 3.48Å; K1516-M1539 HydrophobicContact CB-SD 4.5Å |
| 1517 | V | 90.6 | Very high | 86.6 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 11% | 0.109 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 111 | I1505 F1508 Q1509 K1513 A1514 L1520 N1521 | I1505-V1517 HydrophobicContact CG2-CG1 4.19Å; F1508-V1517 HydrophobicContact CB-CG2 3.56Å; Q1509-V1517 HydrophobicContact CG-CG1 4.06Å; Q1509-V1517 HydrophobicContact CG-CG2 3.8Å; K1513-V1517 WeakPolarHBondContact O-CG2 3.44Å; K1513-V1517 PolarHBondContact O-N 3.37Å; K1513-V1517 VanDerWaalsContact O-N 3.14Å; A1514-V1517 PolarHBondContact O-N 3.21Å; V1517-L1520 PolarHBondContact O-N 3.18Å; V1517-N1521 WeakPolarHBondContact O-CB 3.29Å; V1517-N1521 PolarHBondContact O-N 2.93Å |
| 1518 | W | 89.2 | Confident | 86.6 | Confident | 179 Ų | 179 | 73.7 Ų | 73.7 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.4 | -46.8 | 178.9 | -173 | 86.3 | 0 | 0 | 0 | 111.6 | A1514 D1515 L1520 N1521 H1522 | A1514-W1518 WeakPolarHBondContact O-CB 3.49Å; A1514-W1518 PolarHBondContact O-N 3.47Å; D1515-W1518 PolarHBondContact O-N 2.94Å; W1518-L1520 PolarHBondContact O-N 3.37Å; W1518-N1521 PolarHBondContact O-N 2.93Å; W1518-H1522 PolarHBondContact O-N 2.72Å |
| 1519 | Y | 91.1 | Very high | 86.3 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 26% | 0.263 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 176 | -174.6 | -100.2 | 0 | 0 | 0 | 111.7 | D1515 K1516 H1522 I1523 R1535 M1539 | D1515-Y1519 WeakPolarHBondContact O-CB 3.26Å; D1515-Y1519 PolarHBondContact O-N 3.13Å; K1516-Y1519 PolarHBondContact O-N 3.03Å; Y1519-H1522 PolarHBondContact O-N 3.14Å; Y1519-I1523 HydrophobicContact CD1-CD1 4.29Å; Y1519-I1523 HydrophobicContact CD1-CG2 4.38Å; Y1519-I1523 HydrophobicContact CE1-CD1 4.02Å; Y1519-I1523 HydrophobicContact CE1-CG2 4.01Å; Y1519-I1523 HydrophobicContact CE2-CG2 4.34Å; Y1519-I1523 PolarHBondContact O-N 3.18Å; Y1519-R1535 WeakPolarHBondContact CE1-O 3.21Å; Y1519-R1535 PolarHBondContact OH-O 3.2Å; Y1519-R1535 VanDerWaalsContact OH-O 3.07Å; Y1519-M1539 HydrophobicContact CD1-CB 4.18Å; Y1519-M1539 HydrophobicContact CD1-CG 4.21Å; Y1519-M1539 HydrophobicContact CD1-SD 3.77Å; Y1519-M1539 HydrophobicContact CE1-CB 3.87Å; Y1519-M1539 HydrophobicContact CE1-CG 4.41Å; Y1519-M1539 HydrophobicContact CE1-SD 4.35Å |
| 1520 | L | 91.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 178.6 | -80.3 | 166.1 | 0 | 0 | 0 | 113.4 | L1496 I1501 A1504 I1505 F1508 K1516 V1517 W1518 H1522 I1523 K1524 M1539 | L1496-L1520 HydrophobicContact CD2-CD1 4.04Å; L1496-L1520 HydrophobicContact CD2-CD2 3.42Å; L1496-L1520 VanDerWaalsContact CD2-CD2 3.42Å; L1496-L1520 HydrophobicContact CD2-CG 4.34Å; I1501-L1520 HydrophobicContact CG2-CB 4.35Å; I1501-L1520 HydrophobicContact CG2-CD2 3.86Å; A1504-L1520 HydrophobicContact CB-CD1 4.09Å; I1505-L1520 HydrophobicContact CD1-CB 4.16Å; I1505-L1520 HydrophobicContact CG1-CB 3.6Å; I1505-L1520 HydrophobicContact CG1-CD1 4.25Å; F1508-L1520 HydrophobicContact CD2-CD1 3.47Å; F1508-L1520 VanDerWaalsContact CD2-CD1 3.47Å; F1508-L1520 HydrophobicContact CE2-CD1 3.66Å; K1516-L1520 VanDerWaalsContact O-CB 3.24Å; K1516-L1520 WeakPolarHBondContact O-CB 3.43Å; K1516-L1520 VanDerWaalsContact O-CG 3.3Å; K1516-L1520 WeakPolarHBondContact O-CG 3.26Å; K1516-L1520 PolarHBondContact O-N 3.48Å; V1517-L1520 PolarHBondContact O-N 3.18Å; W1518-L1520 PolarHBondContact O-N 3.37Å; L1520-H1522 VanDerWaalsContact C-N 3.31Å; L1520-H1522 PolarHBondContact O-N 3.19Å; L1520-I1523 HydrophobicContact CD2-CD1 3.85Å; L1520-I1523 HydrophobicContact CD2-CG1 4.27Å; L1520-I1523 WeakPolarHBondContact O-CG1 3.18Å; L1520-I1523 PolarHBondContact O-N 2.86Å; L1520-K1524 WeakPolarHBondContact O-CB 2.98Å; L1520-K1524 PolarHBondContact O-N 3.16Å; L1520-M1539 HydrophobicContact CD1-CE 4.09Å; L1520-M1539 HydrophobicContact CD1-SD 4.13Å; L1520-M1539 HydrophobicContact CD2-CE 3.58Å; L1520-M1539 HydrophobicContact CD2-SD 4.16Å; L1520-M1539 HydrophobicContact CG-CE 3.88Å; L1520-M1539 HydrophobicContact CG-SD 3.83Å |
| 1521 | N | 90.1 | Very high | 86.7 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 173.3 | -80.6 | -21.5 | 0 | 0 | 0 | 111.5 | I1505 V1517 W1518 | I1505-N1521 VanDerWaalsContact CD1-OD1 3.28Å; I1505-N1521 WeakPolarHBondContact CD1-OD1 3.26Å; V1517-N1521 WeakPolarHBondContact O-CB 3.29Å; V1517-N1521 PolarHBondContact O-N 2.93Å; W1518-N1521 PolarHBondContact O-N 2.93Å |
| 1522 | H | 89.3 | Confident | 86.9 | Confident | 125 Ų | 125 | 73.9 Ų | 73.9 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.1 | -36.2 | 178.1 | -168.3 | 65.1 | 0 | 0 | 0 | 113.1 | W1518 Y1519 L1520 | W1518-H1522 PolarHBondContact O-N 2.72Å; Y1519-H1522 PolarHBondContact O-N 3.14Å; L1520-H1522 VanDerWaalsContact C-N 3.31Å; L1520-H1522 PolarHBondContact O-N 3.19Å |
| 1523 | I | 89.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -86 | -17.5 | 179.9 | 68.3 | 172.5 | 0 | 0 | 0 | 113.8 | Y1519 L1520 E1525 T1526 L1532 R1535 I1536 | Y1519-I1523 HydrophobicContact CD1-CD1 4.29Å; Y1519-I1523 HydrophobicContact CD1-CG2 4.38Å; Y1519-I1523 HydrophobicContact CE1-CD1 4.02Å; Y1519-I1523 HydrophobicContact CE1-CG2 4.01Å; Y1519-I1523 HydrophobicContact CE2-CG2 4.34Å; Y1519-I1523 PolarHBondContact O-N 3.18Å; L1520-I1523 HydrophobicContact CD2-CD1 3.85Å; L1520-I1523 HydrophobicContact CD2-CG1 4.27Å; L1520-I1523 WeakPolarHBondContact O-CG1 3.18Å; L1520-I1523 PolarHBondContact O-N 2.86Å; I1523-E1525 PolarHBondContact O-N 3.26Å; I1523-E1525 VanDerWaalsContact O-N 3.07Å; I1523-T1526 VanDerWaalsContact O-CB 3.3Å; I1523-T1526 WeakPolarHBondContact O-CB 3.14Å; I1523-T1526 PolarHBondContact O-N 3Å; I1523-T1526 PolarHBondContact O-OG1 3.44Å; I1523-L1532 HydrophobicContact CB-CD1 4.21Å; I1523-L1532 HydrophobicContact CD1-CD1 4.25Å; I1523-L1532 HydrophobicContact CG1-CD1 4.23Å; I1523-L1532 VanDerWaalsContact O-CD1 3.32Å; I1523-L1532 WeakPolarHBondContact O-CD1 3.48Å; I1523-R1535 HydrophobicContact CD1-CB 4.47Å; I1523-R1535 HydrophobicContact CG2-CB 4.12Å; I1523-I1536 HydrophobicContact CD1-CD1 4.44Å; I1523-I1536 HydrophobicContact CD1-CG1 3.61Å |
| 1524 | K | 86.6 | Confident | 87.3 | Confident | 103 Ų | 103 | 68.7 Ų | 68.7 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -31.6 | -175.6 | 179.4 | 175.8 | 167.7 | 174.9 | 0 | 113.3 | I1501 D1502 I1505 L1520 | I1501-K1524 HydrophobicContact CG2-CB 4.26Å; I1501-K1524 HydrophobicContact CG2-CG 4.45Å; D1502-K1524 WeakPolarHBondContact OD1-CE 3.21Å; D1502-K1524 IonicContact OD1-NZ 3.23Å; D1502-K1524 PolarHBondContact OD1-NZ 3.44Å; I1505-K1524 HydrophobicContact CD1-CD 4.29Å; L1520-K1524 WeakPolarHBondContact O-CB 2.98Å; L1520-K1524 PolarHBondContact O-N 3.16Å |
| 1525 | E | 83.7 | Confident | 87.5 | Confident | 175 Ų | 175 | 67.5 Ų | 67.5 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.5 | -178.9 | -60.7 | -177.5 | 170.4 | 0 | 0 | 114.2 | I1523 E1527 | I1523-E1525 PolarHBondContact O-N 3.26Å; I1523-E1525 VanDerWaalsContact O-N 3.07Å; E1525-E1527 PolarHBondContact O-N 2.95Å; E1525-E1527 VanDerWaalsContact O-N 3.14Å |
| 1526 | T | 84.7 | Confident | 87.7 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 13% | 0.129 | 28% | 0.284 | C | S | . | . | trans | -72.8 | 108 | -177.7 | -45.4 | 0 | 0 | 0 | 0 | 111 | I1523 L1531 L1532 R1535 | I1523-T1526 VanDerWaalsContact O-CB 3.3Å; I1523-T1526 WeakPolarHBondContact O-CB 3.14Å; I1523-T1526 PolarHBondContact O-N 3Å; I1523-T1526 PolarHBondContact O-OG1 3.44Å; T1526-L1531 HydrophobicContact CG2-CB 4.08Å; T1526-L1531 HydrophobicContact CG2-CD2 3.7Å; T1526-L1531 HydrophobicContact CG2-CG 3.94Å; T1526-L1532 HydrophobicContact CG2-CB 4.46Å; T1526-R1535 PolarHBondContact OG1-NH1 3.3Å; T1526-R1535 VanDerWaalsContact OG1-NH1 3.17Å | ||
| 1527 | E | 81 | Confident | 87.7 | Confident | 189 Ų | 189 | 60.7 Ų | 60.7 | 88% | 0.883 | 28% | 0.277 | S | S | * | . | trans | -67.9 | -37.1 | -178.2 | -63.6 | -173.5 | 161.8 | 0 | 0 | 114 | E1525 K1529 | E1525-E1527 PolarHBondContact O-N 2.95Å; E1525-E1527 VanDerWaalsContact O-N 3.14Å; E1527-K1529 PolarHBondContact O-N 3.44Å; E1527-K1529 VanDerWaalsContact O-N 3.13Å | ||
| 1528 | N | 83.8 | Confident | 87.7 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | trans | -72.1 | 108.6 | 179.1 | -175.9 | -26.6 | 0 | 0 | 0 | 109.5 | D1530 L1531 L1532 C1554 | N1528-D1530 VanDerWaalsContact C-N 3.3Å; N1528-D1530 PolarHBondContact O-N 3.06Å; N1528-D1530 PolarHBondContact OD1-N 3.45Å; N1528-L1531 HydrophobicContact CB-CB 3.85Å; N1528-L1531 WeakPolarHBondContact O-CB 3.32Å; N1528-L1531 PolarHBondContact O-N 2.84Å; N1528-L1531 PolarHBondContact OD1-N 3.22Å; N1528-L1532 WeakPolarHBondContact O-CB 3.47Å; N1528-L1532 PolarHBondContact O-N 3.4Å; N1528-C1554 PolarHBondContact ND2-SG 3.16Å | ||
| 1529 | K | 81.3 | Confident | 87.6 | Confident | 117 Ų | 117 | 54.4 Ų | 54.4 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.2 | -36.9 | -177.8 | -69.3 | -177 | -179.5 | 176.8 | 0 | 113.3 | E1527 L1532 R1533 | E1527-K1529 PolarHBondContact O-N 3.44Å; E1527-K1529 VanDerWaalsContact O-N 3.13Å; K1529-L1532 PolarHBondContact O-N 3.11Å; K1529-R1533 WeakPolarHBondContact O-CB 3.28Å; K1529-R1533 WeakPolarHBondContact O-CD 3.36Å; K1529-R1533 WeakPolarHBondContact O-CG 3.44Å; K1529-R1533 PolarHBondContact O-N 3.2Å |
| 1530 | D | 84.4 | Confident | 87.4 | Confident | 56 Ų | 56 | 53 Ų | 53 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.8 | -36.7 | -179.6 | -62.3 | -36.9 | 0 | 0 | 0 | 110.7 | N1528 R1533 A1534 | N1528-D1530 VanDerWaalsContact C-N 3.3Å; N1528-D1530 PolarHBondContact O-N 3.06Å; N1528-D1530 PolarHBondContact OD1-N 3.45Å; D1530-R1533 PolarHBondContact O-N 3.39Å; D1530-R1533 IonicContact OD1-NH1 2.58Å; D1530-R1533 PolarHBondContact OD1-NH1 3.11Å; D1530-R1533 VanDerWaalsContact OD1-NH1 3.17Å; D1530-A1534 VanDerWaalsContact O-CB 3.31Å; D1530-A1534 WeakPolarHBondContact O-CB 3.24Å; D1530-A1534 PolarHBondContact O-N 3.31Å |
| 1531 | L | 88.9 | Confident | 87.2 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -43 | 170.6 | -170.6 | 63.9 | 0 | 0 | 0 | 111.8 | T1526 N1528 A1534 R1535 F1550 N1555 E1558 | T1526-L1531 HydrophobicContact CG2-CB 4.08Å; T1526-L1531 HydrophobicContact CG2-CD2 3.7Å; T1526-L1531 HydrophobicContact CG2-CG 3.94Å; N1528-L1531 HydrophobicContact CB-CB 3.85Å; N1528-L1531 WeakPolarHBondContact O-CB 3.32Å; N1528-L1531 PolarHBondContact O-N 2.84Å; N1528-L1531 PolarHBondContact OD1-N 3.22Å; L1531-A1534 PolarHBondContact O-N 3.44Å; L1531-R1535 WeakPolarHBondContact O-CG 3.4Å; L1531-R1535 PolarHBondContact O-N 3.22Å; L1531-F1550 HydrophobicContact CD1-CD1 3.86Å; L1531-F1550 HydrophobicContact CD1-CE1 3.86Å; L1531-N1555 HydrophobicContact CD1-CB 4.34Å; L1531-E1558 WeakPolarHBondContact CD1-OE2 3.01Å |
| 1532 | L | 88 | Confident | 87.2 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 176.2 | -179.5 | 62.4 | 0 | 0 | 0 | 111.5 | I1501 I1523 T1526 N1528 K1529 A1534 R1535 I1536 | I1501-L1532 HydrophobicContact CD1-CD1 3.72Å; I1501-L1532 HydrophobicContact CD1-CD2 3.89Å; I1501-L1532 HydrophobicContact CD1-CG 4.16Å; I1523-L1532 HydrophobicContact CB-CD1 4.21Å; I1523-L1532 HydrophobicContact CD1-CD1 4.25Å; I1523-L1532 HydrophobicContact CG1-CD1 4.23Å; I1523-L1532 VanDerWaalsContact O-CD1 3.32Å; I1523-L1532 WeakPolarHBondContact O-CD1 3.48Å; T1526-L1532 HydrophobicContact CG2-CB 4.46Å; N1528-L1532 WeakPolarHBondContact O-CB 3.47Å; N1528-L1532 PolarHBondContact O-N 3.4Å; K1529-L1532 PolarHBondContact O-N 3.11Å; L1532-A1534 VanDerWaalsContact C-N 3.35Å; L1532-R1535 PolarHBondContact O-N 3.25Å; L1532-I1536 HydrophobicContact CD1-CD1 4.13Å; L1532-I1536 HydrophobicContact CG-CD1 4.02Å; L1532-I1536 VanDerWaalsContact O-CG1 3.29Å; L1532-I1536 WeakPolarHBondContact O-CG1 3.24Å; L1532-I1536 PolarHBondContact O-N 2.79Å |
| 1533 | R | 88.2 | Confident | 87.2 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 176.2 | -69.3 | 160.3 | 70.3 | 179.9 | 10.2 | 111.3 | T1411 I1412 E1413 N1414 L1499 K1529 D1530 I1536 A1537 L1549 | T1411-R1533 PolarHBondContact O-NE 3.36Å; I1412-R1533 VanDerWaalsContact O-CZ 3.23Å; I1412-R1533 PolarHBondContact O-NE 3.26Å; I1412-R1533 PolarHBondContact O-NH2 3.31Å; E1413-R1533 PolarHBondContact O-NH2 3.47Å; N1414-R1533 VanDerWaalsContact CA-NH2 3.33Å; N1414-R1533 PolarHBondContact ND2-NH2 3.1Å; N1414-R1533 PolarHBondContact OD1-NH1 3.06Å; N1414-R1533 PolarHBondContact OD1-NH2 3.49Å; L1499-R1533 HydrophobicContact CD1-CG 3.79Å; L1499-R1533 HydrophobicContact CD2-CG 3.98Å; K1529-R1533 WeakPolarHBondContact O-CB 3.28Å; K1529-R1533 WeakPolarHBondContact O-CD 3.36Å; K1529-R1533 WeakPolarHBondContact O-CG 3.44Å; K1529-R1533 PolarHBondContact O-N 3.2Å; D1530-R1533 PolarHBondContact O-N 3.39Å; D1530-R1533 IonicContact OD1-NH1 2.58Å; D1530-R1533 PolarHBondContact OD1-NH1 3.11Å; D1530-R1533 VanDerWaalsContact OD1-NH1 3.17Å; R1533-I1536 PolarHBondContact O-N 2.59Å; R1533-A1537 VanDerWaalsContact O-CB 3.29Å; R1533-A1537 WeakPolarHBondContact O-CB 3.45Å; R1533-A1537 PolarHBondContact O-N 2.81Å; R1533-L1549 HydrophobicContact CB-CD1 3.72Å; R1533-L1549 HydrophobicContact CB-CD2 4.5Å |
| 1534 | A | 89.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -48.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | D1530 L1531 L1532 I1536 A1537 V1538 L1549 F1550 | D1530-A1534 VanDerWaalsContact O-CB 3.31Å; D1530-A1534 WeakPolarHBondContact O-CB 3.24Å; D1530-A1534 PolarHBondContact O-N 3.31Å; L1531-A1534 PolarHBondContact O-N 3.44Å; L1532-A1534 VanDerWaalsContact C-N 3.35Å; A1534-I1536 VanDerWaalsContact C-N 3.35Å; A1534-I1536 PolarHBondContact O-N 3Å; A1534-A1537 WeakPolarHBondContact O-CB 3.09Å; A1534-A1537 PolarHBondContact O-N 3.14Å; A1534-A1537 VanDerWaalsContact O-N 3.14Å; A1534-V1538 WeakPolarHBondContact O-CG2 2.93Å; A1534-V1538 PolarHBondContact O-N 3.36Å; A1534-L1549 HydrophobicContact CB-CB 3.59Å; A1534-F1550 HydrophobicContact CB-CB 4.5Å; A1534-F1550 HydrophobicContact CB-CD1 3.37Å; A1534-F1550 HydrophobicContact CB-CD2 4.02Å; A1534-F1550 HydrophobicContact CB-CE1 3.38Å; A1534-F1550 HydrophobicContact CB-CE2 4.05Å; A1534-F1550 HydrophobicContact CB-CG 3.68Å; A1534-F1550 HydrophobicContact CB-CZ 3.73Å |
| 1535 | R | 90.2 | Very high | 87.3 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 178 | -71.9 | 174.9 | 178.4 | -172.3 | -5.7 | 113.3 | Y1519 I1523 T1526 L1531 L1532 M1539 F1550 E1558 | Y1519-R1535 WeakPolarHBondContact CE1-O 3.21Å; Y1519-R1535 PolarHBondContact OH-O 3.2Å; Y1519-R1535 VanDerWaalsContact OH-O 3.07Å; I1523-R1535 HydrophobicContact CD1-CB 4.47Å; I1523-R1535 HydrophobicContact CG2-CB 4.12Å; T1526-R1535 PolarHBondContact OG1-NH1 3.3Å; T1526-R1535 VanDerWaalsContact OG1-NH1 3.17Å; L1531-R1535 WeakPolarHBondContact O-CG 3.4Å; L1531-R1535 PolarHBondContact O-N 3.22Å; L1532-R1535 PolarHBondContact O-N 3.25Å; R1535-M1539 PolarHBondContact O-N 3.45Å; R1535-F1550 HydrophobicContact CG-CE1 4.09Å; R1535-F1550 HydrophobicContact CG-CZ 4.19Å; R1535-E1558 IonicContact CZ-OE1 3.29Å; R1535-E1558 IonicContact CZ-OE2 3.97Å; R1535-E1558 IonicContact NE-OE1 3.73Å; R1535-E1558 IonicContact NE-OE2 3.97Å; R1535-E1558 PolarHBondContact NE-OE2 3.44Å; R1535-E1558 VanDerWaalsContact NE-OE2 3.11Å; R1535-E1558 IonicContact NH2-OE1 2.9Å; R1535-E1558 PolarHBondContact NH2-OE1 3.24Å; R1535-E1558 IonicContact NH2-OE2 3.55Å; R1535-E1558 PolarHBondContact NH2-OE2 2.99Å |
| 1536 | I | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.9 | -40.8 | 172.8 | -67.4 | 167.8 | 0 | 0 | 0 | 110.5 | I1412 L1496 L1499 I1501 I1523 L1532 R1533 A1534 V1538 M1539 M1540 | I1412-I1536 HydrophobicContact CD1-CG2 3.58Å; I1412-I1536 HydrophobicContact CG1-CG2 4.09Å; L1496-I1536 HydrophobicContact CB-CG2 3.93Å; L1496-I1536 HydrophobicContact CD2-CG2 4.24Å; L1499-I1536 HydrophobicContact CD2-CD1 3.43Å; L1499-I1536 VanDerWaalsContact CD2-CD1 3.43Å; I1501-I1536 HydrophobicContact CD1-CD1 4.06Å; I1501-I1536 HydrophobicContact CG1-CD1 4.09Å; I1523-I1536 HydrophobicContact CD1-CD1 4.44Å; I1523-I1536 HydrophobicContact CD1-CG1 3.61Å; L1532-I1536 HydrophobicContact CD1-CD1 4.13Å; L1532-I1536 HydrophobicContact CG-CD1 4.02Å; L1532-I1536 VanDerWaalsContact O-CG1 3.29Å; L1532-I1536 WeakPolarHBondContact O-CG1 3.24Å; L1532-I1536 PolarHBondContact O-N 2.79Å; R1533-I1536 PolarHBondContact O-N 2.59Å; A1534-I1536 VanDerWaalsContact C-N 3.35Å; A1534-I1536 PolarHBondContact O-N 3Å; I1536-V1538 VanDerWaalsContact C-N 3.3Å; I1536-V1538 PolarHBondContact O-N 3.39Å; I1536-M1539 CarbonylContact O-C 3.53Å; I1536-M1539 WeakPolarHBondContact O-CB 3.22Å; I1536-M1539 PolarHBondContact O-N 3.2Å; I1536-M1540 HydrophobicContact CG2-CG 4.43Å; I1536-M1540 HydrophobicContact CG2-SD 4.37Å; I1536-M1540 PolarHBondContact O-N 3.02Å |
| 1537 | A | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1412 R1533 A1534 M1539 M1540 Q1541 Q1542 L1545 A1546 L1549 | I1412-A1537 HydrophobicContact CG2-CB 4.21Å; R1533-A1537 VanDerWaalsContact O-CB 3.29Å; R1533-A1537 WeakPolarHBondContact O-CB 3.45Å; R1533-A1537 PolarHBondContact O-N 2.81Å; A1534-A1537 WeakPolarHBondContact O-CB 3.09Å; A1534-A1537 PolarHBondContact O-N 3.14Å; A1534-A1537 VanDerWaalsContact O-N 3.14Å; A1537-M1539 VanDerWaalsContact C-N 3.34Å; A1537-M1539 PolarHBondContact O-N 2.86Å; A1537-M1540 CarbonylContact O-C 3.51Å; A1537-M1540 PolarHBondContact O-N 2.99Å; A1537-Q1541 PolarHBondContact O-N 2.77Å; A1537-Q1541 VanDerWaalsContact O-N 3.16Å; A1537-Q1542 HydrophobicContact CB-CB 4.31Å; A1537-Q1542 PolarHBondContact O-N 2.8Å; A1537-L1545 HydrophobicContact CB-CB 4.44Å; A1537-L1545 HydrophobicContact CB-CD2 4.5Å; A1537-L1545 HydrophobicContact CB-CG 4.44Å; A1537-A1546 HydrophobicContact CB-CB 3.94Å; A1537-L1549 HydrophobicContact CB-CD1 4.49Å |
| 1538 | V | 90 | Very high | 88.2 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 22% | 0.218 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.1 | -45.6 | 170.5 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | A1534 I1536 M1540 Q1541 Y1543 A1546 F1550 M1562 | A1534-V1538 WeakPolarHBondContact O-CG2 2.93Å; A1534-V1538 PolarHBondContact O-N 3.36Å; I1536-V1538 VanDerWaalsContact C-N 3.3Å; I1536-V1538 PolarHBondContact O-N 3.39Å; V1538-M1540 VanDerWaalsContact C-N 3.34Å; V1538-M1540 PolarHBondContact O-N 3.2Å; V1538-Q1541 PolarHBondContact O-N 2.88Å; V1538-Q1541 VanDerWaalsContact O-N 3.12Å; V1538-Y1543 HydrophobicContact CG1-CE1 4.48Å; V1538-A1546 HydrophobicContact CG2-CB 3.7Å; V1538-F1550 HydrophobicContact CG2-CE2 3.51Å; V1538-F1550 HydrophobicContact CG2-CZ 3.78Å; V1538-M1562 HydrophobicContact CG2-CG 4.08Å; V1538-M1562 HydrophobicContact CG2-SD 3.71Å |
| 1539 | M | 87.5 | Confident | 88.5 | Confident | 29 Ų | 29 | 47.7 Ų | 47.7 | 14% | 0.143 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.8 | -31.2 | 179.5 | -173 | -177.4 | 54.4 | 0 | 0 | 113 | L1496 K1516 Y1519 L1520 R1535 I1536 A1537 Q1541 | L1496-M1539 HydrophobicContact CD1-CE 3.19Å; L1496-M1539 HydrophobicContact CD2-CE 3.43Å; L1496-M1539 VanDerWaalsContact CD2-CE 3.43Å; L1496-M1539 HydrophobicContact CG-CE 3.88Å; K1516-M1539 HydrophobicContact CB-SD 4.5Å; Y1519-M1539 HydrophobicContact CD1-CB 4.18Å; Y1519-M1539 HydrophobicContact CD1-CG 4.21Å; Y1519-M1539 HydrophobicContact CD1-SD 3.77Å; Y1519-M1539 HydrophobicContact CE1-CB 3.87Å; Y1519-M1539 HydrophobicContact CE1-CG 4.41Å; Y1519-M1539 HydrophobicContact CE1-SD 4.35Å; L1520-M1539 HydrophobicContact CD1-CE 4.09Å; L1520-M1539 HydrophobicContact CD1-SD 4.13Å; L1520-M1539 HydrophobicContact CD2-CE 3.58Å; L1520-M1539 HydrophobicContact CD2-SD 4.16Å; L1520-M1539 HydrophobicContact CG-CE 3.88Å; L1520-M1539 HydrophobicContact CG-SD 3.83Å; R1535-M1539 PolarHBondContact O-N 3.45Å; I1536-M1539 CarbonylContact O-C 3.53Å; I1536-M1539 WeakPolarHBondContact O-CB 3.22Å; I1536-M1539 PolarHBondContact O-N 3.2Å; A1537-M1539 VanDerWaalsContact C-N 3.34Å; A1537-M1539 PolarHBondContact O-N 2.86Å; M1539-Q1541 PolarHBondContact O-N 3.42Å |
| 1540 | M | 86.2 | Confident | 88.9 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 5.3 | 172.8 | -66.9 | -169.5 | 107.6 | 0 | 0 | 113.6 | I1412 L1493 L1496 I1536 A1537 V1538 Q1542 | I1412-M1540 HydrophobicContact CD1-CG 4.47Å; I1412-M1540 HydrophobicContact CD1-SD 3.16Å; I1412-M1540 WeakPolarHBondContact CD1-SD 3.41Å; L1493-M1540 HydrophobicContact CB-CE 3.75Å; L1493-M1540 HydrophobicContact CD2-CE 3.8Å; L1493-M1540 HydrophobicContact CD2-CG 4.28Å; L1493-M1540 HydrophobicContact CG-CE 4.37Å; L1493-M1540 WeakPolarHBondContact O-CE 3.5Å; L1496-M1540 HydrophobicContact CB-CE 4.18Å; L1496-M1540 HydrophobicContact CB-SD 4.13Å; L1496-M1540 HydrophobicContact CD1-CG 4.48Å; I1536-M1540 HydrophobicContact CG2-CG 4.43Å; I1536-M1540 HydrophobicContact CG2-SD 4.37Å; I1536-M1540 PolarHBondContact O-N 3.02Å; A1537-M1540 CarbonylContact O-C 3.51Å; A1537-M1540 PolarHBondContact O-N 2.99Å; V1538-M1540 VanDerWaalsContact C-N 3.34Å; V1538-M1540 PolarHBondContact O-N 3.2Å; M1540-Q1542 HydrophobicContact CB-CG 4.33Å; M1540-Q1542 PolarHBondContact O-N 3.35Å |
| 1541 | Q | 88.2 | Confident | 89.1 | Confident | 144 Ų | 144 | 42.2 Ų | 42.2 | 67% | 0.673 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 26.6 | -177.9 | -54.1 | 178 | 2.1 | 0 | 0 | 113.8 | A1537 V1538 M1539 Y1543 | A1537-Q1541 PolarHBondContact O-N 2.77Å; A1537-Q1541 VanDerWaalsContact O-N 3.16Å; V1538-Q1541 PolarHBondContact O-N 2.88Å; V1538-Q1541 VanDerWaalsContact O-N 3.12Å; M1539-Q1541 PolarHBondContact O-N 3.42Å; Q1541-Y1543 HydrophobicContact CB-CE2 4.24Å; Q1541-Y1543 PolarHBondContact O-N 3.25Å |
| 1542 | Q | 88.5 | Confident | 88.9 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | trans | -96.2 | 66.7 | 175.4 | -65.5 | -177.4 | -7.8 | 0 | 0 | 110.4 | A1537 M1540 D1544 L1545 A1546 | A1537-Q1542 HydrophobicContact CB-CB 4.31Å; A1537-Q1542 PolarHBondContact O-N 2.8Å; M1540-Q1542 HydrophobicContact CB-CG 4.33Å; M1540-Q1542 PolarHBondContact O-N 3.35Å; Q1542-D1544 VanDerWaalsContact C-N 3.35Å; Q1542-D1544 PolarHBondContact O-N 2.91Å; Q1542-L1545 HydrophobicContact CB-CB 4.18Å; Q1542-L1545 PolarHBondContact O-N 3.23Å; Q1542-A1546 PolarHBondContact O-N 3.06Å | ||
| 1543 | Y | 90.2 | Very high | 88.7 | Confident | 79 Ų | 79 | 47 Ų | 47 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.4 | -33.7 | -171.8 | -53 | -59 | 0 | 0 | 0 | 113.9 | V1538 Q1541 L1545 A1546 E1547 M1562 I1566 | V1538-Y1543 HydrophobicContact CG1-CE1 4.48Å; Q1541-Y1543 HydrophobicContact CB-CE2 4.24Å; Q1541-Y1543 PolarHBondContact O-N 3.25Å; Y1543-L1545 VanDerWaalsContact C-N 3.32Å; Y1543-L1545 PolarHBondContact O-N 3.42Å; Y1543-A1546 PolarHBondContact O-N 3.2Å; Y1543-E1547 WeakPolarHBondContact O-CB 3.48Å; Y1543-E1547 PolarHBondContact O-N 2.8Å; Y1543-M1562 HydrophobicContact CD1-CG 4.48Å; Y1543-M1562 HydrophobicContact CD1-SD 3.99Å; Y1543-I1566 HydrophobicContact CD1-CD1 3.3Å; Y1543-I1566 HydrophobicContact CD2-CD1 4.15Å; Y1543-I1566 HydrophobicContact CE1-CD1 3.31Å; Y1543-I1566 HydrophobicContact CE1-CG1 4.09Å; Y1543-I1566 HydrophobicContact CE2-CD1 4.15Å; Y1543-I1566 HydrophobicContact CG-CD1 3.73Å |
| 1544 | D | 88.7 | Confident | 88.4 | Confident | 115 Ų | 115 | 51.4 Ų | 51.4 | 62% | 0.615 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 175.9 | -67.8 | -44 | 0 | 0 | 0 | 112.3 | Q1542 K1548 | Q1542-D1544 VanDerWaalsContact C-N 3.35Å; Q1542-D1544 PolarHBondContact O-N 2.91Å; D1544-K1548 WeakPolarHBondContact O-CG 3.36Å; D1544-K1548 PolarHBondContact O-N 3.15Å |
| 1545 | L | 88.2 | Confident | 88 | Confident | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.7 | -41.4 | 175.6 | -174.1 | 58.6 | 0 | 0 | 0 | 110.3 | I1412 E1413 A1537 Q1542 Y1543 E1547 K1548 L1549 | I1412-L1545 HydrophobicContact CG2-CD2 3.62Å; E1413-L1545 HydrophobicContact CG-CD2 4Å; A1537-L1545 HydrophobicContact CB-CB 4.44Å; A1537-L1545 HydrophobicContact CB-CD2 4.5Å; A1537-L1545 HydrophobicContact CB-CG 4.44Å; Q1542-L1545 HydrophobicContact CB-CB 4.18Å; Q1542-L1545 PolarHBondContact O-N 3.23Å; Y1543-L1545 VanDerWaalsContact C-N 3.32Å; Y1543-L1545 PolarHBondContact O-N 3.42Å; L1545-E1547 PolarHBondContact O-N 3.45Å; L1545-K1548 PolarHBondContact O-N 3.5Å; L1545-L1549 HydrophobicContact CD1-CD1 4.25Å; L1545-L1549 HydrophobicContact CD1-CG 4.38Å; L1545-L1549 HydrophobicContact CG-CD1 3.87Å; L1545-L1549 HydrophobicContact CG-CG 4.43Å; L1545-L1549 WeakPolarHBondContact O-CB 3.39Å; L1545-L1549 VanDerWaalsContact O-CG 3.29Å; L1545-L1549 WeakPolarHBondContact O-CG 3.34Å; L1545-L1549 PolarHBondContact O-N 3.22Å |
| 1546 | A | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1537 V1538 Q1542 Y1543 K1548 L1549 F1550 M1562 | A1537-A1546 HydrophobicContact CB-CB 3.94Å; V1538-A1546 HydrophobicContact CG2-CB 3.7Å; Q1542-A1546 PolarHBondContact O-N 3.06Å; Y1543-A1546 PolarHBondContact O-N 3.2Å; A1546-K1548 PolarHBondContact O-N 3.14Å; A1546-L1549 PolarHBondContact O-N 2.93Å; A1546-F1550 HydrophobicContact CB-CD2 4.2Å; A1546-F1550 HydrophobicContact CB-CE2 4.03Å; A1546-F1550 WeakPolarHBondContact O-CB 3.36Å; A1546-F1550 WeakPolarHBondContact O-CD2 3.11Å; A1546-F1550 WeakPolarHBondContact O-CG 3.36Å; A1546-F1550 PolarHBondContact O-N 3.08Å; A1546-M1562 HydrophobicContact CB-SD 3.8Å |
| 1547 | E | 89.3 | Confident | 87.4 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.3 | -49.4 | 175.3 | -178.7 | -177.3 | 156.3 | 0 | 0 | 110.7 | Y1543 L1545 L1549 F1550 L1551 Y1563 R1571 | Y1543-E1547 WeakPolarHBondContact O-CB 3.48Å; Y1543-E1547 PolarHBondContact O-N 2.8Å; L1545-E1547 PolarHBondContact O-N 3.45Å; E1547-L1549 PolarHBondContact O-N 3.3Å; E1547-F1550 PolarHBondContact O-N 3.23Å; E1547-L1551 HydrophobicContact CG-CD1 3.97Å; E1547-L1551 HydrophobicContact CG-CG 4.49Å; E1547-L1551 WeakPolarHBondContact O-CB 3.48Å; E1547-L1551 WeakPolarHBondContact O-CG 3.24Å; E1547-L1551 PolarHBondContact O-N 3.12Å; E1547-Y1563 HydrophobicContact CB-CE2 4.26Å; E1547-Y1563 HydrophobicContact CG-CE2 4.21Å; E1547-Y1563 WeakPolarHBondContact OE2-CE2 3.28Å; E1547-Y1563 PolarHBondContact OE2-OH 2.97Å; E1547-R1571 IonicContact OE1-NH1 3.8Å; E1547-R1571 IonicContact OE2-NH1 3.74Å; E1547-R1571 PolarHBondContact OE2-NH1 3.43Å |
| 1548 | K | 88.8 | Confident | 87.3 | Confident | 137 Ų | 137 | 59.6 Ų | 59.6 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.2 | -48.6 | 177.7 | -69.6 | 174.9 | -173.7 | 173.7 | 0 | 111.5 | D1544 L1545 A1546 L1551 D1552 | D1544-K1548 WeakPolarHBondContact O-CG 3.36Å; D1544-K1548 PolarHBondContact O-N 3.15Å; L1545-K1548 PolarHBondContact O-N 3.5Å; A1546-K1548 PolarHBondContact O-N 3.14Å; K1548-L1551 PolarHBondContact O-N 3.5Å; K1548-D1552 PolarHBondContact O-N 3.1Å |
| 1549 | L | 89 | Confident | 87.2 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.2 | -38.8 | -177.4 | -68 | 170.3 | 0 | 0 | 0 | 112.6 | I1412 R1533 A1534 A1537 L1545 A1546 E1547 D1552 S1553 | I1412-L1549 HydrophobicContact CG2-CD1 4.47Å; R1533-L1549 HydrophobicContact CB-CD1 3.72Å; R1533-L1549 HydrophobicContact CB-CD2 4.5Å; A1534-L1549 HydrophobicContact CB-CB 3.59Å; A1537-L1549 HydrophobicContact CB-CD1 4.49Å; L1545-L1549 HydrophobicContact CD1-CD1 4.25Å; L1545-L1549 HydrophobicContact CD1-CG 4.38Å; L1545-L1549 HydrophobicContact CG-CD1 3.87Å; L1545-L1549 HydrophobicContact CG-CG 4.43Å; L1545-L1549 WeakPolarHBondContact O-CB 3.39Å; L1545-L1549 VanDerWaalsContact O-CG 3.29Å; L1545-L1549 WeakPolarHBondContact O-CG 3.34Å; L1545-L1549 PolarHBondContact O-N 3.22Å; A1546-L1549 PolarHBondContact O-N 2.93Å; E1547-L1549 PolarHBondContact O-N 3.3Å; L1549-D1552 PolarHBondContact O-N 3.49Å; L1549-S1553 VanDerWaalsContact O-CB 3.27Å; L1549-S1553 WeakPolarHBondContact O-CB 3.45Å; L1549-S1553 PolarHBondContact O-N 3.06Å |
| 1550 | F | 91 | Very high | 87.4 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 174.4 | -77.1 | -50.6 | 0 | 0 | 0 | 111.7 | L1531 A1534 R1535 V1538 A1546 E1547 S1553 E1558 A1559 M1562 | L1531-F1550 HydrophobicContact CD1-CD1 3.86Å; L1531-F1550 HydrophobicContact CD1-CE1 3.86Å; A1534-F1550 HydrophobicContact CB-CB 4.5Å; A1534-F1550 HydrophobicContact CB-CD1 3.37Å; A1534-F1550 HydrophobicContact CB-CD2 4.02Å; A1534-F1550 HydrophobicContact CB-CE1 3.38Å; A1534-F1550 HydrophobicContact CB-CE2 4.05Å; A1534-F1550 HydrophobicContact CB-CG 3.68Å; A1534-F1550 HydrophobicContact CB-CZ 3.73Å; R1535-F1550 HydrophobicContact CG-CE1 4.09Å; R1535-F1550 HydrophobicContact CG-CZ 4.19Å; V1538-F1550 HydrophobicContact CG2-CE2 3.51Å; V1538-F1550 HydrophobicContact CG2-CZ 3.78Å; A1546-F1550 HydrophobicContact CB-CD2 4.2Å; A1546-F1550 HydrophobicContact CB-CE2 4.03Å; A1546-F1550 WeakPolarHBondContact O-CB 3.36Å; A1546-F1550 WeakPolarHBondContact O-CD2 3.11Å; A1546-F1550 WeakPolarHBondContact O-CG 3.36Å; A1546-F1550 PolarHBondContact O-N 3.08Å; E1547-F1550 PolarHBondContact O-N 3.23Å; F1550-S1553 PolarHBondContact O-N 2.91Å; F1550-S1553 PolarHBondContact O-OG 2.58Å; F1550-E1558 HydrophobicContact CD1-CB 3.7Å; F1550-E1558 HydrophobicContact CE1-CB 3.71Å; F1550-E1558 HydrophobicContact CE1-CG 4.5Å; F1550-E1558 WeakPolarHBondContact CE1-OE2 3.42Å; F1550-E1558 HydrophobicContact CG-CB 4.22Å; F1550-E1558 HydrophobicContact CZ-CB 4.2Å; F1550-A1559 HydrophobicContact CB-CB 3.79Å; F1550-A1559 HydrophobicContact CD2-CB 4.3Å; F1550-A1559 HydrophobicContact CG-CB 4.4Å; F1550-M1562 HydrophobicContact CD2-SD 4.38Å; F1550-M1562 HydrophobicContact CE2-CB 4.43Å; F1550-M1562 HydrophobicContact CE2-SD 4.01Å |
| 1551 | L | 88.4 | Confident | 87.5 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.4 | -33.7 | 177.1 | -69.5 | 177.7 | 0 | 0 | 0 | 113 | E1547 K1548 P1556 F1579 | E1547-L1551 HydrophobicContact CG-CD1 3.97Å; E1547-L1551 HydrophobicContact CG-CG 4.49Å; E1547-L1551 WeakPolarHBondContact O-CB 3.48Å; E1547-L1551 WeakPolarHBondContact O-CG 3.24Å; E1547-L1551 PolarHBondContact O-N 3.12Å; K1548-L1551 PolarHBondContact O-N 3.5Å; L1551-P1556 HydrophobicContact CD2-CB 4.01Å; L1551-F1579 HydrophobicContact CD1-CZ 4.48Å; L1551-F1579 HydrophobicContact CD2-CD2 4.28Å; L1551-F1579 HydrophobicContact CD2-CE1 4.23Å; L1551-F1579 HydrophobicContact CD2-CE2 3.5Å; L1551-F1579 VanDerWaalsContact CD2-CE2 3.5Å; L1551-F1579 HydrophobicContact CD2-CZ 3.47Å; L1551-F1579 VanDerWaalsContact CD2-CZ 3.47Å |
| 1552 | D | 84.8 | Confident | 87.6 | Confident | 126 Ų | 126 | 54.4 Ų | 54.4 | 67% | 0.674 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -77.2 | -23.9 | 174.3 | -70.4 | -19.7 | 0 | 0 | 0 | 112.2 | K1548 L1549 | K1548-D1552 PolarHBondContact O-N 3.1Å; L1549-D1552 PolarHBondContact O-N 3.49Å |
| 1553 | S | 84.2 | Confident | 87.7 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 8% | 0.077 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -74.1 | 174.9 | 178.4 | 84 | 0 | 0 | 0 | 0 | 113.3 | L1549 F1550 N1555 | L1549-S1553 VanDerWaalsContact O-CB 3.27Å; L1549-S1553 WeakPolarHBondContact O-CB 3.45Å; L1549-S1553 PolarHBondContact O-N 3.06Å; F1550-S1553 PolarHBondContact O-N 2.91Å; F1550-S1553 PolarHBondContact O-OG 2.58Å; S1553-N1555 PolarHBondContact O-N 2.86Å; S1553-N1555 PolarHBondContact OG-N 3.05Å |
| 1554 | C | 80.4 | Confident | 87.7 | Confident | 104 Ų | 104 | 48.9 Ų | 48.9 | 70% | 0.703 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -69.3 | -14.6 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 114.1 | N1528 P1556 | N1528-C1554 PolarHBondContact ND2-SG 3.16Å; C1554-P1556 WeakPolarHBondContact O-CD 3.46Å |
| 1555 | N | 81.4 | Confident | 87.6 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 40% | 0.401 | 26% | 0.262 | S | S | . | . | trans | -125 | 75.3 | -173 | -71.6 | -8.5 | 0 | 0 | 0 | 112 | L1531 S1553 D1557 E1558 | L1531-N1555 HydrophobicContact CD1-CB 4.34Å; S1553-N1555 PolarHBondContact O-N 2.86Å; S1553-N1555 PolarHBondContact OG-N 3.05Å; N1555-D1557 PolarHBondContact O-N 3.48Å; N1555-E1558 HydrophobicContact CB-CG 4.34Å; N1555-E1558 PolarHBondContact O-N 3.18Å | ||
| 1556 | P | 83.1 | Confident | 87.6 | Confident | 45 Ų | 45 | 51 Ų | 51 | 29% | 0.292 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.7 | 178.2 | 28.3 | -36.2 | 0 | 0 | 0 | 113.4 | L1551 C1554 E1558 A1559 | L1551-P1556 HydrophobicContact CD2-CB 4.01Å; C1554-P1556 WeakPolarHBondContact O-CD 3.46Å; P1556-E1558 VanDerWaalsContact C-N 3.27Å; P1556-E1558 PolarHBondContact O-N 3.06Å; P1556-A1559 WeakPolarHBondContact O-CB 3.31Å; P1556-A1559 PolarHBondContact O-N 2.9Å |
| 1557 | D | 86.2 | Confident | 87.4 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -30.8 | 177.6 | -77.5 | 10.3 | 0 | 0 | 0 | 112.4 | N1555 A1559 L1560 E1561 K1580 | N1555-D1557 PolarHBondContact O-N 3.48Å; D1557-A1559 PolarHBondContact O-N 2.63Å; D1557-L1560 WeakPolarHBondContact O-CB 3.44Å; D1557-L1560 PolarHBondContact O-N 3.12Å; D1557-E1561 PolarHBondContact O-N 2.89Å; D1557-K1580 WeakPolarHBondContact OD2-CE 3.44Å; D1557-K1580 IonicContact OD2-NZ 3.77Å; D1557-K1580 PolarHBondContact OD2-NZ 3.47Å; D1557-K1580 VanDerWaalsContact OD2-NZ 3.13Å |
| 1558 | E | 88.1 | Confident | 87.4 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.9 | -27.7 | 177.3 | -71.5 | -169.9 | -160.2 | 0 | 0 | 111.7 | L1531 R1535 F1550 N1555 P1556 L1560 E1561 M1562 | L1531-E1558 WeakPolarHBondContact CD1-OE2 3.01Å; R1535-E1558 IonicContact CZ-OE1 3.29Å; R1535-E1558 IonicContact CZ-OE2 3.97Å; R1535-E1558 IonicContact NE-OE1 3.73Å; R1535-E1558 IonicContact NE-OE2 3.97Å; R1535-E1558 PolarHBondContact NE-OE2 3.44Å; R1535-E1558 VanDerWaalsContact NE-OE2 3.11Å; R1535-E1558 IonicContact NH2-OE1 2.9Å; R1535-E1558 PolarHBondContact NH2-OE1 3.24Å; R1535-E1558 IonicContact NH2-OE2 3.55Å; R1535-E1558 PolarHBondContact NH2-OE2 2.99Å; F1550-E1558 HydrophobicContact CD1-CB 3.7Å; F1550-E1558 HydrophobicContact CE1-CB 3.71Å; F1550-E1558 HydrophobicContact CE1-CG 4.5Å; F1550-E1558 WeakPolarHBondContact CE1-OE2 3.42Å; F1550-E1558 HydrophobicContact CG-CB 4.22Å; F1550-E1558 HydrophobicContact CZ-CB 4.2Å; N1555-E1558 HydrophobicContact CB-CG 4.34Å; N1555-E1558 PolarHBondContact O-N 3.18Å; P1556-E1558 VanDerWaalsContact C-N 3.27Å; P1556-E1558 PolarHBondContact O-N 3.06Å; E1558-L1560 VanDerWaalsContact C-N 3.33Å; E1558-L1560 PolarHBondContact O-N 2.92Å; E1558-E1561 PolarHBondContact O-N 3.28Å; E1558-M1562 VanDerWaalsContact O-CB 3.29Å; E1558-M1562 WeakPolarHBondContact O-CB 3.3Å; E1558-M1562 PolarHBondContact O-N 3.28Å |
| 1559 | A | 89 | Confident | 87.4 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | F1550 P1556 D1557 Y1563 L1575 | F1550-A1559 HydrophobicContact CB-CB 3.79Å; F1550-A1559 HydrophobicContact CD2-CB 4.3Å; F1550-A1559 HydrophobicContact CG-CB 4.4Å; P1556-A1559 WeakPolarHBondContact O-CB 3.31Å; P1556-A1559 PolarHBondContact O-N 2.9Å; D1557-A1559 PolarHBondContact O-N 2.63Å; A1559-Y1563 VanDerWaalsContact O-CD2 3.27Å; A1559-Y1563 WeakPolarHBondContact O-CD2 3.47Å; A1559-Y1563 PolarHBondContact O-N 3.39Å; A1559-L1575 HydrophobicContact CB-CD1 4.32Å |
| 1560 | L | 90.1 | Very high | 87.3 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.3 | -47.8 | 177 | 176.8 | 61.9 | 0 | 0 | 0 | 110.7 | D1557 E1558 M1562 Y1563 V1564 A1572 L1575 A1576 K1580 I1587 | D1557-L1560 WeakPolarHBondContact O-CB 3.44Å; D1557-L1560 PolarHBondContact O-N 3.12Å; E1558-L1560 VanDerWaalsContact C-N 3.33Å; E1558-L1560 PolarHBondContact O-N 2.92Å; L1560-M1562 VanDerWaalsContact C-N 3.29Å; L1560-M1562 PolarHBondContact O-N 3.13Å; L1560-Y1563 PolarHBondContact O-N 3.46Å; L1560-V1564 HydrophobicContact CD1-CG2 4.43Å; L1560-V1564 WeakPolarHBondContact O-CG2 3.46Å; L1560-V1564 PolarHBondContact O-N 3.38Å; L1560-A1572 HydrophobicContact CD1-CB 4.18Å; L1560-A1572 WeakPolarHBondContact CD1-O 3.44Å; L1560-L1575 HydrophobicContact CD1-CB 4.12Å; L1560-A1576 HydrophobicContact CD1-CB 3.89Å; L1560-A1576 HydrophobicContact CD2-CB 4.17Å; L1560-K1580 HydrophobicContact CD2-CB 4.2Å; L1560-K1580 HydrophobicContact CD2-CD 4.39Å; L1560-I1587 HydrophobicContact CD1-CD1 3.91Å; L1560-I1587 HydrophobicContact CD2-CD1 4.1Å; L1560-I1587 HydrophobicContact CG-CD1 4.31Å |
| 1561 | E | 88.7 | Confident | 87.2 | Confident | 112 Ų | 112 | 63 Ų | 63 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 178.2 | -68 | -176.2 | 177.3 | 0 | 0 | 111.8 | D1557 E1558 Y1563 V1564 N1565 | D1557-E1561 PolarHBondContact O-N 2.89Å; E1558-E1561 PolarHBondContact O-N 3.28Å; E1561-Y1563 PolarHBondContact O-N 3.25Å; E1561-V1564 PolarHBondContact O-N 3.45Å; E1561-N1565 WeakPolarHBondContact O-CB 3.35Å; E1561-N1565 PolarHBondContact O-N 2.87Å; E1561-N1565 PolarHBondContact O-ND2 3.46Å; E1561-N1565 VanDerWaalsContact O-ND2 3.16Å |
| 1562 | M | 90.1 | Very high | 87.2 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 5% | 0.054 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.9 | -52.2 | 173.2 | -179.9 | -164.6 | 72.7 | 0 | 0 | 111.4 | V1538 Y1543 A1546 F1550 E1558 L1560 N1565 I1566 | V1538-M1562 HydrophobicContact CG2-CG 4.08Å; V1538-M1562 HydrophobicContact CG2-SD 3.71Å; Y1543-M1562 HydrophobicContact CD1-CG 4.48Å; Y1543-M1562 HydrophobicContact CD1-SD 3.99Å; A1546-M1562 HydrophobicContact CB-SD 3.8Å; F1550-M1562 HydrophobicContact CD2-SD 4.38Å; F1550-M1562 HydrophobicContact CE2-CB 4.43Å; F1550-M1562 HydrophobicContact CE2-SD 4.01Å; E1558-M1562 VanDerWaalsContact O-CB 3.29Å; E1558-M1562 WeakPolarHBondContact O-CB 3.3Å; E1558-M1562 PolarHBondContact O-N 3.28Å; L1560-M1562 VanDerWaalsContact C-N 3.29Å; L1560-M1562 PolarHBondContact O-N 3.13Å; M1562-N1565 PolarHBondContact O-N 3.28Å; M1562-I1566 HydrophobicContact CG-CD1 3.68Å; M1562-I1566 WeakPolarHBondContact O-CD1 3.49Å; M1562-I1566 VanDerWaalsContact O-CG1 3.24Å; M1562-I1566 WeakPolarHBondContact O-CG1 3.36Å; M1562-I1566 PolarHBondContact O-N 3.43Å; M1562-I1566 HydrophobicContact SD-CD1 4.4Å |
| 1563 | Y | 91 | Very high | 87.3 | Confident | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.9 | -31.5 | -178.2 | -77.5 | -65.7 | 0 | 0 | 0 | 113.5 | E1547 A1559 L1560 E1561 M1567 D1568 R1571 L1575 | E1547-Y1563 HydrophobicContact CB-CE2 4.26Å; E1547-Y1563 HydrophobicContact CG-CE2 4.21Å; E1547-Y1563 WeakPolarHBondContact OE2-CE2 3.28Å; E1547-Y1563 PolarHBondContact OE2-OH 2.97Å; A1559-Y1563 VanDerWaalsContact O-CD2 3.27Å; A1559-Y1563 WeakPolarHBondContact O-CD2 3.47Å; A1559-Y1563 PolarHBondContact O-N 3.39Å; L1560-Y1563 PolarHBondContact O-N 3.46Å; E1561-Y1563 PolarHBondContact O-N 3.25Å; Y1563-M1567 PolarHBondContact O-N 3.12Å; Y1563-M1567 VanDerWaalsContact O-N 3.16Å; Y1563-D1568 HydrophobicContact CD1-CB 3.93Å; Y1563-D1568 PolarHBondContact O-N 3.1Å; Y1563-R1571 HydrophobicContact CD1-CB 3.7Å; Y1563-R1571 HydrophobicContact CD1-CG 4.42Å; Y1563-R1571 HydrophobicContact CD2-CB 4.14Å; Y1563-R1571 HydrophobicContact CE1-CB 3.82Å; Y1563-R1571 HydrophobicContact CE1-CG 4.07Å; Y1563-R1571 HydrophobicContact CE2-CB 4.23Å; Y1563-R1571 HydrophobicContact CG-CB 3.84Å; Y1563-L1575 HydrophobicContact CD2-CD1 3.37Å; Y1563-L1575 HydrophobicContact CE2-CD1 3.66Å |
| 1564 | V | 89.4 | Confident | 87.5 | Confident | 30 Ų | 30 | 61 Ų | 61 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 170.2 | 174 | 0 | 0 | 0 | 0 | 110.4 | L1560 E1561 M1567 W1569 A1572 I1587 | L1560-V1564 HydrophobicContact CD1-CG2 4.43Å; L1560-V1564 WeakPolarHBondContact O-CG2 3.46Å; L1560-V1564 PolarHBondContact O-N 3.38Å; E1561-V1564 PolarHBondContact O-N 3.45Å; V1564-M1567 PolarHBondContact O-N 3.2Å; V1564-M1567 VanDerWaalsContact O-N 3.14Å; V1564-W1569 HydrophobicContact CG1-CZ3 4.28Å; V1564-A1572 HydrophobicContact CG2-CB 3.84Å; V1564-I1587 HydrophobicContact CG2-CD1 4.31Å; V1564-I1587 HydrophobicContact CG2-CG1 4.38Å |
| 1565 | N | 87.2 | Confident | 87.9 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 69% | 0.69 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -68.9 | -34.2 | 179.3 | -69.2 | -25.1 | 0 | 0 | 0 | 113.4 | E1561 M1562 M1567 | E1561-N1565 WeakPolarHBondContact O-CB 3.35Å; E1561-N1565 PolarHBondContact O-N 2.87Å; E1561-N1565 PolarHBondContact O-ND2 3.46Å; E1561-N1565 VanDerWaalsContact O-ND2 3.16Å; M1562-N1565 PolarHBondContact O-N 3.28Å; N1565-M1567 PolarHBondContact O-N 2.66Å |
| 1566 | I | 88.6 | Confident | 88.2 | Confident | 62 Ų | 62 | 53 Ų | 53 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -74 | -14.3 | 174.2 | -64.8 | 162.6 | 0 | 0 | 0 | 111.6 | Y1543 M1562 D1568 | Y1543-I1566 HydrophobicContact CD1-CD1 3.3Å; Y1543-I1566 HydrophobicContact CD2-CD1 4.15Å; Y1543-I1566 HydrophobicContact CE1-CD1 3.31Å; Y1543-I1566 HydrophobicContact CE1-CG1 4.09Å; Y1543-I1566 HydrophobicContact CE2-CD1 4.15Å; Y1543-I1566 HydrophobicContact CG-CD1 3.73Å; M1562-I1566 HydrophobicContact CG-CD1 3.68Å; M1562-I1566 WeakPolarHBondContact O-CD1 3.49Å; M1562-I1566 VanDerWaalsContact O-CG1 3.24Å; M1562-I1566 WeakPolarHBondContact O-CG1 3.36Å; M1562-I1566 PolarHBondContact O-N 3.43Å; M1562-I1566 HydrophobicContact SD-CD1 4.4Å; I1566-D1568 VanDerWaalsContact C-N 3.33Å |
| 1567 | M | 86.6 | Confident | 88.4 | Confident | 116 Ų | 116 | 53.6 Ų | 53.6 | 57% | 0.571 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 28.3 | -172.4 | -52.5 | -170.7 | -68.9 | 0 | 0 | 114.1 | Y1563 V1564 N1565 W1569 | Y1563-M1567 PolarHBondContact O-N 3.12Å; Y1563-M1567 VanDerWaalsContact O-N 3.16Å; V1564-M1567 PolarHBondContact O-N 3.2Å; V1564-M1567 VanDerWaalsContact O-N 3.14Å; N1565-M1567 PolarHBondContact O-N 2.66Å; M1567-W1569 HydrophobicContact CB-CZ2 4.3Å; M1567-W1569 HydrophobicContact CG-CZ2 4.27Å; M1567-W1569 PolarHBondContact O-N 3.17Å; M1567-W1569 PolarHBondContact O-NE1 3.43Å |
| 1568 | D | 89.1 | Confident | 88.3 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 33% | 0.326 | 29% | 0.287 | S | S | . | . | trans | -87.6 | 81.1 | 167.1 | -171.9 | -17.9 | 0 | 0 | 0 | 109.5 | Y1563 I1566 E1570 R1571 A1572 | Y1563-D1568 HydrophobicContact CD1-CB 3.93Å; Y1563-D1568 PolarHBondContact O-N 3.1Å; I1566-D1568 VanDerWaalsContact C-N 3.33Å; D1568-E1570 VanDerWaalsContact C-N 3.25Å; D1568-E1570 PolarHBondContact O-N 2.92Å; D1568-E1570 PolarHBondContact OD1-N 3.26Å; D1568-R1571 HydrophobicContact CB-CB 4.49Å; D1568-R1571 PolarHBondContact O-N 2.76Å; D1568-R1571 PolarHBondContact OD1-N 3.47Å; D1568-A1572 WeakPolarHBondContact O-CB 3.35Å; D1568-A1572 PolarHBondContact O-N 2.99Å | ||
| 1569 | W | 88.5 | Confident | 88.1 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -29.4 | -175.6 | -56 | 105 | 0 | 0 | 0 | 113.3 | V1564 M1567 M1573 I1587 E1590 Y1591 E1594 | V1564-W1569 HydrophobicContact CG1-CZ3 4.28Å; M1567-W1569 HydrophobicContact CB-CZ2 4.3Å; M1567-W1569 HydrophobicContact CG-CZ2 4.27Å; M1567-W1569 PolarHBondContact O-N 3.17Å; M1567-W1569 PolarHBondContact O-NE1 3.43Å; W1569-M1573 WeakPolarHBondContact O-CB 3.22Å; W1569-M1573 VanDerWaalsContact O-CG 3.23Å; W1569-M1573 WeakPolarHBondContact O-CG 3.41Å; W1569-M1573 PolarHBondContact O-N 3.4Å; W1569-I1587 HydrophobicContact CE3-CG2 4.08Å; W1569-I1587 HydrophobicContact CZ3-CG2 4.38Å; W1569-E1590 HydrophobicContact CH2-CB 4Å; W1569-E1590 HydrophobicContact CZ3-CB 3.94Å; W1569-Y1591 HydrophobicContact CB-CD1 3.61Å; W1569-Y1591 HydrophobicContact CB-CD2 3.57Å; W1569-Y1591 HydrophobicContact CB-CE1 3.79Å; W1569-Y1591 HydrophobicContact CB-CE2 3.79Å; W1569-Y1591 HydrophobicContact CB-CG 3.49Å; W1569-Y1591 VanDerWaalsContact CB-CG 3.49Å; W1569-Y1591 AromaticContact CD1-CD2 3.21Å; W1569-Y1591 AromaticContact CD1-CE2 3.4Å; W1569-Y1591 VanDerWaalsContact CD1-CE2 3.4Å; W1569-Y1591 AromaticContact CD1-CG 3.99Å; W1569-Y1591 AromaticContact CD2-CD2 3.88Å; W1569-Y1591 HydrophobicContact CD2-CD2 3.88Å; W1569-Y1591 AromaticContact CD2-CG 4Å; W1569-Y1591 HydrophobicContact CD2-CG 4Å; W1569-Y1591 HydrophobicContact CG-CD1 4.17Å; W1569-Y1591 AromaticContact CG-CD2 3.23Å; W1569-Y1591 HydrophobicContact CG-CD2 3.23Å; W1569-Y1591 AromaticContact CG-CE2 3.7Å; W1569-Y1591 HydrophobicContact CG-CE2 3.7Å; W1569-Y1591 AromaticContact CG-CG 3.52Å; W1569-Y1591 HydrophobicContact CG-CG 3.52Å; W1569-Y1591 AromaticContact NE1-CD2 3.79Å; W1569-E1594 HydrophobicContact CZ2-CG 3.72Å |
| 1570 | E | 87.4 | Confident | 87.8 | Confident | 129 Ų | 129 | 62.8 Ų | 62.8 | 60% | 0.603 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.9 | -47 | 179.7 | -65.9 | -171.5 | 176.5 | 0 | 0 | 111 | D1568 L1574 | D1568-E1570 VanDerWaalsContact C-N 3.25Å; D1568-E1570 PolarHBondContact O-N 2.92Å; D1568-E1570 PolarHBondContact OD1-N 3.26Å; E1570-L1574 WeakPolarHBondContact O-CG 3.49Å; E1570-L1574 PolarHBondContact O-N 3.33Å; E1570-L1574 VanDerWaalsContact O-N 3.08Å |
| 1571 | R | 88.7 | Confident | 87.5 | Confident | 104 Ų | 104 | 65.9 Ų | 65.9 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 174.5 | -77 | -64 | -174.5 | 138.6 | 1.2 | 112.7 | E1547 Y1563 D1568 M1573 L1574 L1575 | E1547-R1571 IonicContact OE1-NH1 3.8Å; E1547-R1571 IonicContact OE2-NH1 3.74Å; E1547-R1571 PolarHBondContact OE2-NH1 3.43Å; Y1563-R1571 HydrophobicContact CD1-CB 3.7Å; Y1563-R1571 HydrophobicContact CD1-CG 4.42Å; Y1563-R1571 HydrophobicContact CD2-CB 4.14Å; Y1563-R1571 HydrophobicContact CE1-CB 3.82Å; Y1563-R1571 HydrophobicContact CE1-CG 4.07Å; Y1563-R1571 HydrophobicContact CE2-CB 4.23Å; Y1563-R1571 HydrophobicContact CG-CB 3.84Å; D1568-R1571 HydrophobicContact CB-CB 4.49Å; D1568-R1571 PolarHBondContact O-N 2.76Å; D1568-R1571 PolarHBondContact OD1-N 3.47Å; R1571-M1573 PolarHBondContact O-N 3.32Å; R1571-L1574 PolarHBondContact O-N 3.14Å; R1571-L1575 PolarHBondContact O-N 3.49Å |
| 1572 | A | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1560 V1564 D1568 L1574 L1575 A1576 I1587 | L1560-A1572 HydrophobicContact CD1-CB 4.18Å; L1560-A1572 WeakPolarHBondContact CD1-O 3.44Å; V1564-A1572 HydrophobicContact CG2-CB 3.84Å; D1568-A1572 WeakPolarHBondContact O-CB 3.35Å; D1568-A1572 PolarHBondContact O-N 2.99Å; A1572-L1574 PolarHBondContact O-N 2.99Å; A1572-L1575 PolarHBondContact O-N 3.31Å; A1572-A1576 VanDerWaalsContact O-CB 3.24Å; A1572-A1576 WeakPolarHBondContact O-CB 3.34Å; A1572-A1576 PolarHBondContact O-N 3.25Å; A1572-I1587 HydrophobicContact CB-CG2 4.36Å |
| 1573 | M | 86.7 | Confident | 87 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 14% | 0.143 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 176.9 | -74.7 | -170.1 | -49.5 | 0 | 0 | 113.1 | W1569 R1571 A1576 A1577 L1584 I1587 Y1591 F1607 | W1569-M1573 WeakPolarHBondContact O-CB 3.22Å; W1569-M1573 VanDerWaalsContact O-CG 3.23Å; W1569-M1573 WeakPolarHBondContact O-CG 3.41Å; W1569-M1573 PolarHBondContact O-N 3.4Å; R1571-M1573 PolarHBondContact O-N 3.32Å; M1573-A1576 PolarHBondContact O-N 2.95Å; M1573-A1577 WeakPolarHBondContact O-CB 3.18Å; M1573-A1577 PolarHBondContact O-N 3.11Å; M1573-L1584 HydrophobicContact CB-CD1 4.13Å; M1573-L1584 HydrophobicContact CG-CD1 4.2Å; M1573-I1587 HydrophobicContact CG-CG2 4.04Å; M1573-Y1591 HydrophobicContact CE-CD1 4.27Å; M1573-Y1591 HydrophobicContact CE-CE1 4.28Å; M1573-Y1591 HydrophobicContact SD-CD1 4.32Å; M1573-F1607 HydrophobicContact CE-CE1 3.67Å; M1573-F1607 HydrophobicContact CE-CZ 4.15Å; M1573-F1607 HydrophobicContact SD-CD1 4.16Å; M1573-F1607 HydrophobicContact SD-CE1 3.79Å |
| 1574 | L | 88.6 | Confident | 86.7 | Confident | 116 Ų | 116 | 68 Ų | 68 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 175.8 | -84.2 | 163.4 | 0 | 0 | 0 | 111.6 | E1570 R1571 A1572 K1578 | E1570-L1574 WeakPolarHBondContact O-CG 3.49Å; E1570-L1574 PolarHBondContact O-N 3.33Å; E1570-L1574 VanDerWaalsContact O-N 3.08Å; R1571-L1574 PolarHBondContact O-N 3.14Å; A1572-L1574 PolarHBondContact O-N 2.99Å; L1574-K1578 WeakPolarHBondContact O-CB 3.22Å; L1574-K1578 PolarHBondContact O-N 3.33Å; L1574-K1578 VanDerWaalsContact O-N 3.15Å |
| 1575 | L | 87.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 176.6 | -70.8 | 171.7 | 0 | 0 | 0 | 111.7 | A1559 L1560 Y1563 R1571 A1572 A1577 K1578 F1579 | A1559-L1575 HydrophobicContact CB-CD1 4.32Å; L1560-L1575 HydrophobicContact CD1-CB 4.12Å; Y1563-L1575 HydrophobicContact CD2-CD1 3.37Å; Y1563-L1575 HydrophobicContact CE2-CD1 3.66Å; R1571-L1575 PolarHBondContact O-N 3.49Å; A1572-L1575 PolarHBondContact O-N 3.31Å; L1575-A1577 PolarHBondContact O-N 3.02Å; L1575-K1578 PolarHBondContact O-N 3.06Å; L1575-K1578 VanDerWaalsContact O-N 3.15Å; L1575-F1579 HydrophobicContact CD2-CD2 3.98Å; L1575-F1579 HydrophobicContact CD2-CE2 3.73Å; L1575-F1579 PolarHBondContact O-N 3.29Å |
| 1576 | A | 88.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1560 A1572 M1573 K1578 K1580 P1581 L1584 I1587 | L1560-A1576 HydrophobicContact CD1-CB 3.89Å; L1560-A1576 HydrophobicContact CD2-CB 4.17Å; A1572-A1576 VanDerWaalsContact O-CB 3.24Å; A1572-A1576 WeakPolarHBondContact O-CB 3.34Å; A1572-A1576 PolarHBondContact O-N 3.25Å; M1573-A1576 PolarHBondContact O-N 2.95Å; A1576-K1578 VanDerWaalsContact C-N 3.26Å; A1576-K1578 PolarHBondContact O-N 2.85Å; A1576-K1580 CarbonylContact O-C 3.58Å; A1576-K1580 WeakPolarHBondContact O-CA 3.47Å; A1576-K1580 PolarHBondContact O-N 2.94Å; A1576-P1581 WeakPolarHBondContact O-CA 3.45Å; A1576-L1584 HydrophobicContact CB-CD1 4.1Å; A1576-I1587 HydrophobicContact CB-CD1 3.63Å |
| 1577 | A | 86.4 | Confident | 86.1 | Confident | 57 Ų | 57 | 64.1 Ų | 64.1 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.6 | -32.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1573 L1575 L1584 | M1573-A1577 WeakPolarHBondContact O-CB 3.18Å; M1573-A1577 PolarHBondContact O-N 3.11Å; L1575-A1577 PolarHBondContact O-N 3.02Å; A1577-L1584 HydrophobicContact CB-CD1 4.42Å; A1577-L1584 HydrophobicContact CB-CD2 4.45Å |
| 1578 | K | 85.5 | Confident | 86.1 | Confident | 155 Ų | 155 | 58.6 Ų | 58.6 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -83.9 | -44.1 | -178 | -170.5 | 177.1 | 176.3 | -170.6 | 0 | 113.5 | L1574 L1575 A1576 | L1574-K1578 WeakPolarHBondContact O-CB 3.22Å; L1574-K1578 PolarHBondContact O-N 3.33Å; L1574-K1578 VanDerWaalsContact O-N 3.15Å; L1575-K1578 PolarHBondContact O-N 3.06Å; L1575-K1578 VanDerWaalsContact O-N 3.15Å; A1576-K1578 VanDerWaalsContact C-N 3.26Å; A1576-K1578 PolarHBondContact O-N 2.85Å |
| 1579 | F | 82.3 | Confident | 86 | Confident | 91 Ų | 91 | 57.1 Ų | 57.1 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -110 | -37.1 | -171.3 | -62.9 | -75 | 0 | 0 | 0 | 113.6 | L1551 L1575 | L1551-F1579 HydrophobicContact CD1-CZ 4.48Å; L1551-F1579 HydrophobicContact CD2-CD2 4.28Å; L1551-F1579 HydrophobicContact CD2-CE1 4.23Å; L1551-F1579 HydrophobicContact CD2-CE2 3.5Å; L1551-F1579 VanDerWaalsContact CD2-CE2 3.5Å; L1551-F1579 HydrophobicContact CD2-CZ 3.47Å; L1551-F1579 VanDerWaalsContact CD2-CZ 3.47Å; L1575-F1579 HydrophobicContact CD2-CD2 3.98Å; L1575-F1579 HydrophobicContact CD2-CE2 3.73Å; L1575-F1579 PolarHBondContact O-N 3.29Å |
| 1580 | K | 84.3 | Confident | 85.9 | Confident | 52 Ų | 52 | 58.4 Ų | 58.4 | 23% | 0.226 | 30% | 0.297 | C | S | . | . | trans | -135.8 | 63.2 | -171.8 | -141.8 | 177.5 | -169.8 | -174.9 | 0 | 113.4 | D1557 L1560 A1576 S1582 E1583 | D1557-K1580 WeakPolarHBondContact OD2-CE 3.44Å; D1557-K1580 IonicContact OD2-NZ 3.77Å; D1557-K1580 PolarHBondContact OD2-NZ 3.47Å; D1557-K1580 VanDerWaalsContact OD2-NZ 3.13Å; L1560-K1580 HydrophobicContact CD2-CB 4.2Å; L1560-K1580 HydrophobicContact CD2-CD 4.39Å; A1576-K1580 CarbonylContact O-C 3.58Å; A1576-K1580 WeakPolarHBondContact O-CA 3.47Å; A1576-K1580 PolarHBondContact O-N 2.94Å; K1580-S1582 PolarHBondContact O-N 3.11Å; K1580-E1583 HydrophobicContact CD-CG 4.06Å; K1580-E1583 WeakPolarHBondContact CD-OE1 3.45Å; K1580-E1583 WeakPolarHBondContact CE-OE1 3.35Å; K1580-E1583 HydrophobicContact CG-CG 4.29Å; K1580-E1583 IonicContact NZ-OE1 3Å; K1580-E1583 PolarHBondContact NZ-OE1 3.12Å; K1580-E1583 PolarHBondContact O-N 3.19Å | ||
| 1581 | P | 83.1 | Confident | 86 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.8 | -171.5 | 23.3 | -33.5 | 0 | 0 | 0 | 113.9 | A1576 E1583 L1584 | A1576-P1581 WeakPolarHBondContact O-CA 3.45Å; P1581-E1583 VanDerWaalsContact C-N 3.32Å; P1581-L1584 WeakPolarHBondContact O-CB 3.32Å; P1581-L1584 PolarHBondContact O-N 3.21Å |
| 1582 | S | 84 | Confident | 85.8 | Confident | 98 Ų | 98 | 48.7 Ų | 48.7 | 69% | 0.685 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -31.9 | 172.7 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | K1580 | K1580-S1582 PolarHBondContact O-N 3.11Š|
| 1583 | E | 83.5 | Confident | 85.7 | Confident | 62 Ų | 62 | 52.9 Ų | 52.9 | 29% | 0.29 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11 | -179.3 | -66.3 | -152.3 | -149.3 | 0 | 0 | 113 | K1580 P1581 A1585 K1586 I1587 | K1580-E1583 HydrophobicContact CD-CG 4.06Å; K1580-E1583 WeakPolarHBondContact CD-OE1 3.45Å; K1580-E1583 WeakPolarHBondContact CE-OE1 3.35Å; K1580-E1583 HydrophobicContact CG-CG 4.29Å; K1580-E1583 IonicContact NZ-OE1 3Å; K1580-E1583 PolarHBondContact NZ-OE1 3.12Å; K1580-E1583 PolarHBondContact O-N 3.19Å; P1581-E1583 VanDerWaalsContact C-N 3.32Å; E1583-A1585 VanDerWaalsContact C-N 3.26Å; E1583-A1585 PolarHBondContact O-N 3.42Å; E1583-K1586 WeakPolarHBondContact O-CA 3.33Å; E1583-K1586 WeakPolarHBondContact O-CB 3.24Å; E1583-K1586 PolarHBondContact O-N 3.28Å; E1583-I1587 HydrophobicContact CB-CD1 4.26Å; E1583-I1587 WeakPolarHBondContact O-CG1 3.2Å; E1583-I1587 PolarHBondContact O-N 3.5Å |
| 1584 | L | 84.7 | Confident | 85.6 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.4 | -39 | -179.6 | -172.2 | 68.6 | 0 | 0 | 0 | 112.6 | M1573 A1576 A1577 P1581 K1586 S1588 | M1573-L1584 HydrophobicContact CB-CD1 4.13Å; M1573-L1584 HydrophobicContact CG-CD1 4.2Å; A1576-L1584 HydrophobicContact CB-CD1 4.1Å; A1577-L1584 HydrophobicContact CB-CD1 4.42Å; A1577-L1584 HydrophobicContact CB-CD2 4.45Å; P1581-L1584 WeakPolarHBondContact O-CB 3.32Å; P1581-L1584 PolarHBondContact O-N 3.21Å; L1584-K1586 VanDerWaalsContact C-N 3.29Å; L1584-K1586 PolarHBondContact O-N 3.2Å; L1584-S1588 VanDerWaalsContact O-CB 3.3Å; L1584-S1588 WeakPolarHBondContact O-CB 3.48Å; L1584-S1588 PolarHBondContact O-N 3.29Å; L1584-S1588 PolarHBondContact O-OG 3.38Å |
| 1585 | A | 82.6 | Confident | 85.5 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 12% | 0.116 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -30.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | E1583 S1588 L1589 Q1614 | E1583-A1585 VanDerWaalsContact C-N 3.26Å; E1583-A1585 PolarHBondContact O-N 3.42Å; A1585-S1588 WeakPolarHBondContact CA-OG 3.27Å; A1585-S1588 PolarHBondContact O-OG 3.08Å; A1585-S1588 VanDerWaalsContact O-OG 3.14Å; A1585-L1589 WeakPolarHBondContact O-CB 3.26Å; A1585-L1589 PolarHBondContact O-N 3.04Å; A1585-Q1614 HydrophobicContact CB-CB 3.77Å |
| 1586 | K | 84.7 | Confident | 85.4 | Confident | 121 Ų | 121 | 52.8 Ų | 52.8 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -78.8 | -47.2 | 178.1 | -173.4 | -172.7 | 171.2 | -154.6 | 0 | 110.5 | E1583 L1584 S1588 L1589 E1590 | E1583-K1586 WeakPolarHBondContact O-CA 3.33Å; E1583-K1586 WeakPolarHBondContact O-CB 3.24Å; E1583-K1586 PolarHBondContact O-N 3.28Å; L1584-K1586 VanDerWaalsContact C-N 3.29Å; L1584-K1586 PolarHBondContact O-N 3.2Å; K1586-S1588 VanDerWaalsContact C-N 3.35Å; K1586-S1588 PolarHBondContact O-N 2.9Å; K1586-L1589 WeakPolarHBondContact O-CB 3.43Å; K1586-L1589 PolarHBondContact O-N 2.63Å; K1586-L1589 VanDerWaalsContact O-N 3.07Å; K1586-E1590 VanDerWaalsContact CE-OE1 3.22Å; K1586-E1590 WeakPolarHBondContact CE-OE1 3.23Å; K1586-E1590 IonicContact NZ-OE1 3.75Å; K1586-E1590 PolarHBondContact O-N 3.37Å |
| 1587 | I | 87.1 | Confident | 85.1 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 178 | -64.1 | 165.8 | 0 | 0 | 0 | 111.1 | L1560 V1564 W1569 A1572 M1573 A1576 E1583 L1589 E1590 Y1591 | L1560-I1587 HydrophobicContact CD1-CD1 3.91Å; L1560-I1587 HydrophobicContact CD2-CD1 4.1Å; L1560-I1587 HydrophobicContact CG-CD1 4.31Å; V1564-I1587 HydrophobicContact CG2-CD1 4.31Å; V1564-I1587 HydrophobicContact CG2-CG1 4.38Å; W1569-I1587 HydrophobicContact CE3-CG2 4.08Å; W1569-I1587 HydrophobicContact CZ3-CG2 4.38Å; A1572-I1587 HydrophobicContact CB-CG2 4.36Å; M1573-I1587 HydrophobicContact CG-CG2 4.04Å; A1576-I1587 HydrophobicContact CB-CD1 3.63Å; E1583-I1587 HydrophobicContact CB-CD1 4.26Å; E1583-I1587 WeakPolarHBondContact O-CG1 3.2Å; E1583-I1587 PolarHBondContact O-N 3.5Å; I1587-L1589 VanDerWaalsContact C-N 3.25Å; I1587-L1589 PolarHBondContact O-N 2.89Å; I1587-E1590 PolarHBondContact O-N 2.99Å; I1587-Y1591 WeakPolarHBondContact O-CB 3.3Å; I1587-Y1591 PolarHBondContact O-N 3.11Å |
| 1588 | S | 86.2 | Confident | 85 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -31.2 | 174.7 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | L1584 A1585 K1586 A1592 | L1584-S1588 VanDerWaalsContact O-CB 3.3Å; L1584-S1588 WeakPolarHBondContact O-CB 3.48Å; L1584-S1588 PolarHBondContact O-N 3.29Å; L1584-S1588 PolarHBondContact O-OG 3.38Å; A1585-S1588 WeakPolarHBondContact CA-OG 3.27Å; A1585-S1588 PolarHBondContact O-OG 3.08Å; A1585-S1588 VanDerWaalsContact O-OG 3.14Å; K1586-S1588 VanDerWaalsContact C-N 3.35Å; K1586-S1588 PolarHBondContact O-N 2.9Å; S1588-A1592 VanDerWaalsContact O-CB 3.28Å; S1588-A1592 WeakPolarHBondContact O-CB 3.31Å; S1588-A1592 PolarHBondContact O-N 3.36Å |
| 1589 | L | 86.4 | Confident | 84.8 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.7 | -43 | 175.1 | -176.9 | 138.5 | 0 | 0 | 0 | 112 | A1585 K1586 I1587 A1592 Q1593 Y1608 A1611 | A1585-L1589 WeakPolarHBondContact O-CB 3.26Å; A1585-L1589 PolarHBondContact O-N 3.04Å; K1586-L1589 WeakPolarHBondContact O-CB 3.43Å; K1586-L1589 PolarHBondContact O-N 2.63Å; K1586-L1589 VanDerWaalsContact O-N 3.07Å; I1587-L1589 VanDerWaalsContact C-N 3.25Å; I1587-L1589 PolarHBondContact O-N 2.89Å; L1589-A1592 WeakPolarHBondContact O-CB 3.36Å; L1589-A1592 PolarHBondContact O-N 3.04Å; L1589-Q1593 WeakPolarHBondContact O-CG 3.43Å; L1589-Q1593 PolarHBondContact O-N 3.09Å; L1589-Y1608 HydrophobicContact CG-CE1 4.39Å; L1589-A1611 HydrophobicContact CB-CB 4.34Å |
| 1590 | E | 86.2 | Confident | 84.8 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.2 | -71.5 | 173.8 | -173.5 | 0 | 0 | 111.1 | W1569 K1586 I1587 A1592 Q1593 E1594 | W1569-E1590 HydrophobicContact CH2-CB 4Å; W1569-E1590 HydrophobicContact CZ3-CB 3.94Å; K1586-E1590 VanDerWaalsContact CE-OE1 3.22Å; K1586-E1590 WeakPolarHBondContact CE-OE1 3.23Å; K1586-E1590 IonicContact NZ-OE1 3.75Å; K1586-E1590 PolarHBondContact O-N 3.37Å; I1587-E1590 PolarHBondContact O-N 2.99Å; E1590-A1592 VanDerWaalsContact C-N 3.34Å; E1590-A1592 PolarHBondContact O-N 3.11Å; E1590-Q1593 WeakPolarHBondContact O-CB 3.17Å; E1590-Q1593 PolarHBondContact O-N 2.97Å; E1590-Q1593 VanDerWaalsContact O-N 3.16Å; E1590-E1594 PolarHBondContact O-N 3.06Å |
| 1591 | Y | 88.9 | Confident | 84.5 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 174.2 | -174.8 | -157 | 0 | 0 | 0 | 112.2 | W1569 M1573 I1587 Q1593 E1594 L1595 F1607 | W1569-Y1591 HydrophobicContact CB-CD1 3.61Å; W1569-Y1591 HydrophobicContact CB-CD2 3.57Å; W1569-Y1591 HydrophobicContact CB-CE1 3.79Å; W1569-Y1591 HydrophobicContact CB-CE2 3.79Å; W1569-Y1591 HydrophobicContact CB-CG 3.49Å; W1569-Y1591 VanDerWaalsContact CB-CG 3.49Å; W1569-Y1591 AromaticContact CD1-CD2 3.21Å; W1569-Y1591 AromaticContact CD1-CE2 3.4Å; W1569-Y1591 VanDerWaalsContact CD1-CE2 3.4Å; W1569-Y1591 AromaticContact CD1-CG 3.99Å; W1569-Y1591 AromaticContact CD2-CD2 3.88Å; W1569-Y1591 HydrophobicContact CD2-CD2 3.88Å; W1569-Y1591 AromaticContact CD2-CG 4Å; W1569-Y1591 HydrophobicContact CD2-CG 4Å; W1569-Y1591 HydrophobicContact CG-CD1 4.17Å; W1569-Y1591 AromaticContact CG-CD2 3.23Å; W1569-Y1591 HydrophobicContact CG-CD2 3.23Å; W1569-Y1591 AromaticContact CG-CE2 3.7Å; W1569-Y1591 HydrophobicContact CG-CE2 3.7Å; W1569-Y1591 AromaticContact CG-CG 3.52Å; W1569-Y1591 HydrophobicContact CG-CG 3.52Å; W1569-Y1591 AromaticContact NE1-CD2 3.79Å; M1573-Y1591 HydrophobicContact CE-CD1 4.27Å; M1573-Y1591 HydrophobicContact CE-CE1 4.28Å; M1573-Y1591 HydrophobicContact SD-CD1 4.32Å; I1587-Y1591 WeakPolarHBondContact O-CB 3.3Å; I1587-Y1591 PolarHBondContact O-N 3.11Å; Y1591-Q1593 VanDerWaalsContact C-N 3.27Å; Y1591-Q1593 PolarHBondContact O-N 3.27Å; Y1591-E1594 PolarHBondContact O-N 2.87Å; Y1591-L1595 HydrophobicContact CD1-CD1 4.32Å; Y1591-L1595 HydrophobicContact CD2-CD1 3.86Å; Y1591-L1595 HydrophobicContact CD2-CG 3.89Å; Y1591-L1595 HydrophobicContact CE1-CD1 4.11Å; Y1591-L1595 HydrophobicContact CE2-CD1 3.59Å; Y1591-L1595 HydrophobicContact CE2-CD2 3.94Å; Y1591-L1595 HydrophobicContact CE2-CG 3.6Å; Y1591-L1595 HydrophobicContact CG-CD1 4.21Å; Y1591-L1595 WeakPolarHBondContact O-CB 3.48Å; Y1591-L1595 WeakPolarHBondContact O-CG 3.26Å; Y1591-L1595 PolarHBondContact O-N 3.3Å; Y1591-F1607 HydrophobicContact CD1-CD1 4.03Å; Y1591-F1607 AromaticContact CD1-CD2 3.83Å; Y1591-F1607 HydrophobicContact CD1-CD2 3.83Å; Y1591-F1607 AromaticContact CD1-CE1 3.9Å; Y1591-F1607 HydrophobicContact CD1-CE1 3.9Å; Y1591-F1607 AromaticContact CD1-CE2 3.67Å; Y1591-F1607 HydrophobicContact CD1-CE2 3.67Å; Y1591-F1607 HydrophobicContact CD1-CG 4.01Å; Y1591-F1607 AromaticContact CD1-CZ 3.72Å; Y1591-F1607 HydrophobicContact CD1-CZ 3.72Å; Y1591-F1607 HydrophobicContact CE1-CD1 4.45Å; Y1591-F1607 AromaticContact CE1-CD2 3.89Å; Y1591-F1607 HydrophobicContact CE1-CD2 3.89Å; Y1591-F1607 AromaticContact CE1-CE1 3.93Å; Y1591-F1607 HydrophobicContact CE1-CE1 3.93Å; Y1591-F1607 AromaticContact CE1-CE2 3.26Å; Y1591-F1607 HydrophobicContact CE1-CE2 3.26Å; Y1591-F1607 HydrophobicContact CE1-CG 4.44Å; Y1591-F1607 AromaticContact CE1-CZ 3.3Å; Y1591-F1607 HydrophobicContact CE1-CZ 3.3Å; Y1591-F1607 AromaticContact CZ-CE2 3.97Å |
| 1592 | A | 86 | Confident | 84.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1588 L1589 E1590 L1595 E1596 A1604 F1607 Y1608 | S1588-A1592 VanDerWaalsContact O-CB 3.28Å; S1588-A1592 WeakPolarHBondContact O-CB 3.31Å; S1588-A1592 PolarHBondContact O-N 3.36Å; L1589-A1592 WeakPolarHBondContact O-CB 3.36Å; L1589-A1592 PolarHBondContact O-N 3.04Å; E1590-A1592 VanDerWaalsContact C-N 3.34Å; E1590-A1592 PolarHBondContact O-N 3.11Å; A1592-L1595 PolarHBondContact O-N 2.86Å; A1592-E1596 WeakPolarHBondContact O-CB 3.34Å; A1592-E1596 PolarHBondContact O-N 2.88Å; A1592-A1604 WeakPolarHBondContact O-CB 3.37Å; A1592-F1607 HydrophobicContact CB-CB 3.79Å; A1592-Y1608 HydrophobicContact CB-CD1 3.92Å; A1592-Y1608 HydrophobicContact CB-CD2 3.58Å; A1592-Y1608 HydrophobicContact CB-CE1 3.95Å; A1592-Y1608 HydrophobicContact CB-CE2 3.63Å; A1592-Y1608 HydrophobicContact CB-CG 3.75Å |
| 1593 | Q | 86.2 | Confident | 84.1 | Confident | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 175.9 | -72.4 | 172.8 | -10.7 | 0 | 0 | 112.6 | L1589 E1590 Y1591 L1595 E1596 Y1597 Y1608 | L1589-Q1593 WeakPolarHBondContact O-CG 3.43Å; L1589-Q1593 PolarHBondContact O-N 3.09Å; E1590-Q1593 WeakPolarHBondContact O-CB 3.17Å; E1590-Q1593 PolarHBondContact O-N 2.97Å; E1590-Q1593 VanDerWaalsContact O-N 3.16Å; Y1591-Q1593 VanDerWaalsContact C-N 3.27Å; Y1591-Q1593 PolarHBondContact O-N 3.27Å; Q1593-L1595 VanDerWaalsContact C-N 3.34Å; Q1593-E1596 WeakPolarHBondContact O-CB 3.16Å; Q1593-E1596 PolarHBondContact O-N 3.22Å; Q1593-Y1597 PolarHBondContact O-N 3.32Å; Q1593-Y1608 WeakPolarHBondContact CG-OH 3.29Å |
| 1594 | E | 86 | Confident | 84 | Confident | 88 Ų | 88 | 57 Ų | 57 | 41% | 0.411 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 173 | -73.8 | -58 | 148.4 | 0 | 0 | 111.9 | W1569 E1590 Y1591 E1596 Y1597 S1598 | W1569-E1594 HydrophobicContact CZ2-CG 3.72Å; E1590-E1594 PolarHBondContact O-N 3.06Å; Y1591-E1594 PolarHBondContact O-N 2.87Å; E1594-E1596 VanDerWaalsContact C-N 3.29Å; E1594-E1596 PolarHBondContact O-N 3.25Å; E1594-Y1597 PolarHBondContact O-N 2.96Å; E1594-S1598 WeakPolarHBondContact O-CB 3.47Å; E1594-S1598 PolarHBondContact O-N 3.45Å; E1594-S1598 PolarHBondContact O-OG 3.05Å |
| 1595 | L | 86.1 | Confident | 83.6 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -32.5 | 173 | -71.6 | 169.5 | 0 | 0 | 0 | 112.3 | Y1591 A1592 Q1593 S1598 S1599 E1600 K1603 A1604 F1607 | Y1591-L1595 HydrophobicContact CD1-CD1 4.32Å; Y1591-L1595 HydrophobicContact CD2-CD1 3.86Å; Y1591-L1595 HydrophobicContact CD2-CG 3.89Å; Y1591-L1595 HydrophobicContact CE1-CD1 4.11Å; Y1591-L1595 HydrophobicContact CE2-CD1 3.59Å; Y1591-L1595 HydrophobicContact CE2-CD2 3.94Å; Y1591-L1595 HydrophobicContact CE2-CG 3.6Å; Y1591-L1595 HydrophobicContact CG-CD1 4.21Å; Y1591-L1595 WeakPolarHBondContact O-CB 3.48Å; Y1591-L1595 WeakPolarHBondContact O-CG 3.26Å; Y1591-L1595 PolarHBondContact O-N 3.3Å; A1592-L1595 PolarHBondContact O-N 2.86Å; Q1593-L1595 VanDerWaalsContact C-N 3.34Å; L1595-S1598 VanDerWaalsContact CA-OG 3.26Å; L1595-S1598 WeakPolarHBondContact CA-OG 3.28Å; L1595-S1598 PolarHBondContact O-OG 2.91Å; L1595-S1599 PolarHBondContact O-N 3.13Å; L1595-E1600 HydrophobicContact CD2-CB 4.13Å; L1595-E1600 PolarHBondContact O-N 3.06Å; L1595-K1603 HydrophobicContact CD1-CB 3.83Å; L1595-K1603 HydrophobicContact CD2-CB 4.32Å; L1595-K1603 HydrophobicContact CD2-CD 4.43Å; L1595-A1604 HydrophobicContact CB-CB 3.77Å; L1595-F1607 HydrophobicContact CD1-CD2 3.38Å; L1595-F1607 HydrophobicContact CD1-CE2 3.66Å |
| 1596 | E | 84.1 | Confident | 83.7 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 172 | -174.3 | -174.7 | 161.9 | 0 | 0 | 111.3 | A1592 Q1593 E1594 S1599 Y1601 Y1608 M1624 | A1592-E1596 WeakPolarHBondContact O-CB 3.34Å; A1592-E1596 PolarHBondContact O-N 2.88Å; Q1593-E1596 WeakPolarHBondContact O-CB 3.16Å; Q1593-E1596 PolarHBondContact O-N 3.22Å; E1594-E1596 VanDerWaalsContact C-N 3.29Å; E1594-E1596 PolarHBondContact O-N 3.25Å; E1596-S1599 PolarHBondContact O-N 3.25Å; E1596-S1599 VanDerWaalsContact O-N 3.08Å; E1596-Y1601 HydrophobicContact CG-CE1 4.28Å; E1596-Y1608 PolarHBondContact OE2-OH 3.22Å; E1596-M1624 VanDerWaalsContact CD-SD 3.55Å; E1596-M1624 HydrophobicContact CG-CE 4.3Å; E1596-M1624 HydrophobicContact CG-SD 3.98Å; E1596-M1624 WeakPolarHBondContact OE1-CE 3.42Å; E1596-M1624 VanDerWaalsContact OE2-CE 3.29Å; E1596-M1624 WeakPolarHBondContact OE2-CE 3.32Å |
| 1597 | Y | 83.4 | Confident | 83.6 | Confident | 198 Ų | 198 | 58.5 Ų | 58.5 | 78% | 0.776 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.7 | -41.9 | 175.6 | -104.2 | -77.9 | 0 | 0 | 0 | 112.6 | Q1593 E1594 S1599 | Q1593-Y1597 PolarHBondContact O-N 3.32Å; E1594-Y1597 PolarHBondContact O-N 2.96Å; Y1597-S1599 PolarHBondContact O-N 3.25Å |
| 1598 | S | 83.9 | Confident | 83.4 | Confident | 70 Ų | 70 | 59 Ų | 59 | 49% | 0.49 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 3.1 | 173.6 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | E1594 L1595 E1600 | E1594-S1598 WeakPolarHBondContact O-CB 3.47Å; E1594-S1598 PolarHBondContact O-N 3.45Å; E1594-S1598 PolarHBondContact O-OG 3.05Å; L1595-S1598 VanDerWaalsContact CA-OG 3.26Å; L1595-S1598 WeakPolarHBondContact CA-OG 3.28Å; L1595-S1598 PolarHBondContact O-OG 2.91Å; S1598-E1600 PolarHBondContact O-N 2.9Å |
| 1599 | S | 81.1 | Confident | 83 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 18.9 | 177.2 | -50 | 0 | 0 | 0 | 0 | 115 | L1595 E1596 Y1597 Y1601 | L1595-S1599 PolarHBondContact O-N 3.13Å; E1596-S1599 PolarHBondContact O-N 3.25Å; E1596-S1599 VanDerWaalsContact O-N 3.08Å; Y1597-S1599 PolarHBondContact O-N 3.25Å; S1599-Y1601 WeakPolarHBondContact O-CD2 3.37Å; S1599-Y1601 PolarHBondContact O-N 3.01Å; S1599-Y1601 VanDerWaalsContact O-N 3.11Å |
| 1600 | E | 81.6 | Confident | 82.7 | Confident | 84 Ų | 84 | 64 Ų | 64 | 39% | 0.393 | 32% | 0.317 | S | S | . | . | trans | -86.4 | 57.9 | 173.9 | -67.1 | -159.7 | -173.5 | 0 | 0 | 111.7 | L1595 S1598 G1602 K1603 A1604 | L1595-E1600 HydrophobicContact CD2-CB 4.13Å; L1595-E1600 PolarHBondContact O-N 3.06Å; S1598-E1600 PolarHBondContact O-N 2.9Å; E1600-G1602 PolarHBondContact O-N 2.7Å; E1600-K1603 PolarHBondContact O-N 3.17Å; E1600-K1603 IonicContact OE1-NZ 3.77Å; E1600-K1603 WeakPolarHBondContact OE2-CD 3.33Å; E1600-K1603 WeakPolarHBondContact OE2-CE 3.36Å; E1600-K1603 IonicContact OE2-NZ 3.64Å; E1600-K1603 PolarHBondContact OE2-NZ 3.1Å; E1600-A1604 PolarHBondContact O-N 3.24Å | ||
| 1601 | Y | 79.6 | Confident | 82.1 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55 | -31.7 | -171.7 | -55.9 | -64.4 | 0 | 0 | 0 | 114.4 | E1596 S1599 M1605 | E1596-Y1601 HydrophobicContact CG-CE1 4.28Å; S1599-Y1601 WeakPolarHBondContact O-CD2 3.37Å; S1599-Y1601 PolarHBondContact O-N 3.01Å; S1599-Y1601 VanDerWaalsContact O-N 3.11Å; Y1601-M1605 VanDerWaalsContact O-CB 3.27Å; Y1601-M1605 WeakPolarHBondContact O-CB 3.25Å; Y1601-M1605 PolarHBondContact O-N 3.32Å |
| 1602 | G | 77.5 | Confident | 81.3 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1600 H1606 | E1600-G1602 PolarHBondContact O-N 2.7Å; G1602-H1606 PolarHBondContact O-N 3.2Å |
| 1603 | K | 80 | Confident | 80.6 | Confident | 109 Ų | 109 | 65.6 Ų | 65.6 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -76 | -41.9 | 175.1 | -63.9 | -169.4 | -164.5 | 152.9 | 0 | 110.7 | L1595 E1600 M1605 H1606 F1607 | L1595-K1603 HydrophobicContact CD1-CB 3.83Å; L1595-K1603 HydrophobicContact CD2-CB 4.32Å; L1595-K1603 HydrophobicContact CD2-CD 4.43Å; E1600-K1603 PolarHBondContact O-N 3.17Å; E1600-K1603 IonicContact OE1-NZ 3.77Å; E1600-K1603 WeakPolarHBondContact OE2-CD 3.33Å; E1600-K1603 WeakPolarHBondContact OE2-CE 3.36Å; E1600-K1603 IonicContact OE2-NZ 3.64Å; E1600-K1603 PolarHBondContact OE2-NZ 3.1Å; K1603-M1605 PolarHBondContact O-N 3.43Å; K1603-H1606 WeakPolarHBondContact O-CB 3.32Å; K1603-H1606 PolarHBondContact O-N 3.14Å; K1603-F1607 VanDerWaalsContact O-CD2 3.26Å; K1603-F1607 WeakPolarHBondContact O-CD2 3.27Å; K1603-F1607 PolarHBondContact O-N 3.41Å; K1603-F1607 VanDerWaalsContact O-N 3.15Å |
| 1604 | A | 82.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.2 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1592 L1595 E1600 H1606 F1607 Y1608 | A1592-A1604 WeakPolarHBondContact O-CB 3.37Å; L1595-A1604 HydrophobicContact CB-CB 3.77Å; E1600-A1604 PolarHBondContact O-N 3.24Å; A1604-H1606 VanDerWaalsContact C-N 3.34Å; A1604-H1606 PolarHBondContact O-N 2.88Å; A1604-F1607 PolarHBondContact O-N 3.02Å; A1604-Y1608 HydrophobicContact CB-CD2 4.36Å; A1604-Y1608 HydrophobicContact CB-CE2 4.39Å; A1604-Y1608 WeakPolarHBondContact O-CB 3.45Å; A1604-Y1608 WeakPolarHBondContact O-CD2 3.24Å; A1604-Y1608 PolarHBondContact O-N 3.39Å |
| 1605 | M | 76.4 | Confident | 78.4 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 177.3 | -168.8 | -178.1 | 91.4 | 0 | 0 | 112.4 | Y1601 K1603 F1607 Y1608 E1609 Y1625 | Y1601-M1605 VanDerWaalsContact O-CB 3.27Å; Y1601-M1605 WeakPolarHBondContact O-CB 3.25Å; Y1601-M1605 PolarHBondContact O-N 3.32Å; K1603-M1605 PolarHBondContact O-N 3.43Å; M1605-F1607 PolarHBondContact O-N 3.4Å; M1605-Y1608 PolarHBondContact O-N 3.46Å; M1605-E1609 WeakPolarHBondContact O-CB 3.37Å; M1605-E1609 WeakPolarHBondContact O-CG 3.38Å; M1605-E1609 PolarHBondContact O-N 3.47Å; M1605-Y1625 HydrophobicContact CE-CE1 4.21Å; M1605-Y1625 HydrophobicContact CG-CD1 4.48Å; M1605-Y1625 HydrophobicContact CG-CE1 4Å; M1605-Y1625 HydrophobicContact SD-CD1 3.83Å; M1605-Y1625 HydrophobicContact SD-CE1 3.49Å; M1605-Y1625 WeakPolarHBondContact SD-CE1 3.25Å |
| 1606 | H | 83.3 | Confident | 77.6 | Confident | 108 Ų | 108 | 71.3 Ų | 71.3 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 178 | -173.8 | 56.8 | 0 | 0 | 0 | 112.1 | G1602 K1603 A1604 E1609 Q1610 | G1602-H1606 PolarHBondContact O-N 3.2Å; K1603-H1606 WeakPolarHBondContact O-CB 3.32Å; K1603-H1606 PolarHBondContact O-N 3.14Å; A1604-H1606 VanDerWaalsContact C-N 3.34Å; A1604-H1606 PolarHBondContact O-N 2.88Å; H1606-E1609 WeakPolarHBondContact O-CB 3.38Å; H1606-E1609 PolarHBondContact O-N 2.89Å; H1606-Q1610 PolarHBondContact O-N 3.31Å |
| 1607 | F | 83 | Confident | 76.8 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.9 | -34.5 | 178.6 | -70.3 | -65.8 | 0 | 0 | 0 | 112.9 | M1573 Y1591 A1592 L1595 K1603 A1604 M1605 E1609 Q1610 A1611 | M1573-F1607 HydrophobicContact CE-CE1 3.67Å; M1573-F1607 HydrophobicContact CE-CZ 4.15Å; M1573-F1607 HydrophobicContact SD-CD1 4.16Å; M1573-F1607 HydrophobicContact SD-CE1 3.79Å; Y1591-F1607 HydrophobicContact CD1-CD1 4.03Å; Y1591-F1607 AromaticContact CD1-CD2 3.83Å; Y1591-F1607 HydrophobicContact CD1-CD2 3.83Å; Y1591-F1607 AromaticContact CD1-CE1 3.9Å; Y1591-F1607 HydrophobicContact CD1-CE1 3.9Å; Y1591-F1607 AromaticContact CD1-CE2 3.67Å; Y1591-F1607 HydrophobicContact CD1-CE2 3.67Å; Y1591-F1607 HydrophobicContact CD1-CG 4.01Å; Y1591-F1607 AromaticContact CD1-CZ 3.72Å; Y1591-F1607 HydrophobicContact CD1-CZ 3.72Å; Y1591-F1607 HydrophobicContact CE1-CD1 4.45Å; Y1591-F1607 AromaticContact CE1-CD2 3.89Å; Y1591-F1607 HydrophobicContact CE1-CD2 3.89Å; Y1591-F1607 AromaticContact CE1-CE1 3.93Å; Y1591-F1607 HydrophobicContact CE1-CE1 3.93Å; Y1591-F1607 AromaticContact CE1-CE2 3.26Å; Y1591-F1607 HydrophobicContact CE1-CE2 3.26Å; Y1591-F1607 HydrophobicContact CE1-CG 4.44Å; Y1591-F1607 AromaticContact CE1-CZ 3.3Å; Y1591-F1607 HydrophobicContact CE1-CZ 3.3Å; Y1591-F1607 AromaticContact CZ-CE2 3.97Å; A1592-F1607 HydrophobicContact CB-CB 3.79Å; L1595-F1607 HydrophobicContact CD1-CD2 3.38Å; L1595-F1607 HydrophobicContact CD1-CE2 3.66Å; K1603-F1607 VanDerWaalsContact O-CD2 3.26Å; K1603-F1607 WeakPolarHBondContact O-CD2 3.27Å; K1603-F1607 PolarHBondContact O-N 3.41Å; K1603-F1607 VanDerWaalsContact O-N 3.15Å; A1604-F1607 PolarHBondContact O-N 3.02Å; M1605-F1607 PolarHBondContact O-N 3.4Å; F1607-E1609 VanDerWaalsContact C-N 3.34Å; F1607-E1609 PolarHBondContact O-N 3.46Å; F1607-Q1610 PolarHBondContact O-N 3.37Å; F1607-A1611 WeakPolarHBondContact O-CB 3.44Å; F1607-A1611 PolarHBondContact O-N 3.47Å |
| 1608 | Y | 82.9 | Confident | 76.3 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 169.2 | -81.7 | -61.7 | 0 | 0 | 0 | 112.2 | L1589 A1592 Q1593 E1596 A1604 M1605 M1612 M1624 | L1589-Y1608 HydrophobicContact CG-CE1 4.39Å; A1592-Y1608 HydrophobicContact CB-CD1 3.92Å; A1592-Y1608 HydrophobicContact CB-CD2 3.58Å; A1592-Y1608 HydrophobicContact CB-CE1 3.95Å; A1592-Y1608 HydrophobicContact CB-CE2 3.63Å; A1592-Y1608 HydrophobicContact CB-CG 3.75Å; Q1593-Y1608 WeakPolarHBondContact CG-OH 3.29Å; E1596-Y1608 PolarHBondContact OE2-OH 3.22Å; A1604-Y1608 HydrophobicContact CB-CD2 4.36Å; A1604-Y1608 HydrophobicContact CB-CE2 4.39Å; A1604-Y1608 WeakPolarHBondContact O-CB 3.45Å; A1604-Y1608 WeakPolarHBondContact O-CD2 3.24Å; A1604-Y1608 PolarHBondContact O-N 3.39Å; M1605-Y1608 PolarHBondContact O-N 3.46Å; Y1608-M1612 WeakPolarHBondContact O-CB 3.31Å; Y1608-M1612 WeakPolarHBondContact O-CG 3.28Å; Y1608-M1612 PolarHBondContact O-N 3.48Å; Y1608-M1624 HydrophobicContact CD2-CB 4.38Å; Y1608-M1624 HydrophobicContact CD2-CG 3.49Å; Y1608-M1624 VanDerWaalsContact CD2-CG 3.49Å; Y1608-M1624 HydrophobicContact CD2-SD 4.34Å; Y1608-M1624 HydrophobicContact CE2-CG 3.42Å; Y1608-M1624 VanDerWaalsContact CE2-CG 3.42Å; Y1608-M1624 HydrophobicContact CE2-SD 3.79Å; Y1608-M1624 HydrophobicContact CG-CG 4.22Å |
| 1609 | E | 78.4 | Confident | 75.9 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 172.4 | -77.8 | 177.6 | -178.9 | 0 | 0 | 112.2 | M1605 H1606 F1607 M1612 S1613 Y1625 | M1605-E1609 WeakPolarHBondContact O-CB 3.37Å; M1605-E1609 WeakPolarHBondContact O-CG 3.38Å; M1605-E1609 PolarHBondContact O-N 3.47Å; H1606-E1609 WeakPolarHBondContact O-CB 3.38Å; H1606-E1609 PolarHBondContact O-N 2.89Å; F1607-E1609 VanDerWaalsContact C-N 3.34Å; F1607-E1609 PolarHBondContact O-N 3.46Å; E1609-M1612 HydrophobicContact CB-CE 4.33Å; E1609-M1612 HydrophobicContact CG-CE 3.87Å; E1609-M1612 WeakPolarHBondContact O-CB 3.41Å; E1609-M1612 PolarHBondContact O-N 3.31Å; E1609-S1613 PolarHBondContact O-N 3.21Å; E1609-S1613 VanDerWaalsContact O-N 3.15Å; E1609-Y1625 WeakPolarHBondContact CG-OH 3.17Å; E1609-Y1625 PolarHBondContact OE1-OH 2.9Å |
| 1610 | Q | 78.9 | Confident | 75.5 | Confident | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 176.3 | -169.2 | 173.2 | -9.2 | 0 | 0 | 111.2 | H1606 F1607 M1612 S1613 | H1606-Q1610 PolarHBondContact O-N 3.31Å; F1607-Q1610 PolarHBondContact O-N 3.37Å; Q1610-M1612 VanDerWaalsContact C-N 3.35Å; Q1610-M1612 PolarHBondContact O-N 2.99Å; Q1610-S1613 WeakPolarHBondContact O-CB 3.35Å; Q1610-S1613 PolarHBondContact O-N 3.08Å; Q1610-S1613 PolarHBondContact O-OG 2.83Å |
| 1611 | A | 74.7 | Confident | 75.1 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1589 F1607 S1613 Q1614 S1615 | L1589-A1611 HydrophobicContact CB-CB 4.34Å; F1607-A1611 WeakPolarHBondContact O-CB 3.44Å; F1607-A1611 PolarHBondContact O-N 3.47Å; A1611-S1613 PolarHBondContact O-N 2.84Å; A1611-S1613 VanDerWaalsContact O-N 3.13Å; A1611-Q1614 PolarHBondContact O-N 2.79Å; A1611-S1615 PolarHBondContact O-N 2.94Å; A1611-S1615 PolarHBondContact O-OG 2.83Å |
| 1612 | M | 71.2 | Confident | 74.9 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.7 | -32 | 177.4 | -93 | -164.3 | -70.9 | 0 | 0 | 114.3 | Y1608 E1609 Q1610 Q1614 S1615 Y1618 A1621 Y1625 L1637 | Y1608-M1612 WeakPolarHBondContact O-CB 3.31Å; Y1608-M1612 WeakPolarHBondContact O-CG 3.28Å; Y1608-M1612 PolarHBondContact O-N 3.48Å; E1609-M1612 HydrophobicContact CB-CE 4.33Å; E1609-M1612 HydrophobicContact CG-CE 3.87Å; E1609-M1612 WeakPolarHBondContact O-CB 3.41Å; E1609-M1612 PolarHBondContact O-N 3.31Å; Q1610-M1612 VanDerWaalsContact C-N 3.35Å; Q1610-M1612 PolarHBondContact O-N 2.99Å; M1612-Q1614 PolarHBondContact O-N 3.01Å; M1612-S1615 CarbonylContact C-O 3.51Å; M1612-S1615 VanDerWaalsContact CA-O 3.3Å; M1612-S1615 WeakPolarHBondContact CA-O 3.43Å; M1612-Y1618 HydrophobicContact SD-CD1 4.07Å; M1612-A1621 HydrophobicContact CE-CB 3.24Å; M1612-A1621 HydrophobicContact CG-CB 3.8Å; M1612-A1621 HydrophobicContact SD-CB 3.23Å; M1612-A1621 WeakPolarHBondContact SD-CB 3.45Å; M1612-Y1625 HydrophobicContact CE-CE2 4.23Å; M1612-L1637 HydrophobicContact CE-CD1 4.45Å; M1612-L1637 HydrophobicContact SD-CD1 4.18Å; M1612-L1637 HydrophobicContact SD-CD2 3.99Å |
| 1613 | S | 72 | Confident | 75 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 64% | 0.643 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.2 | -26.1 | 179.6 | 76.8 | 0 | 0 | 0 | 0 | 112.4 | E1609 Q1610 A1611 | E1609-S1613 PolarHBondContact O-N 3.21Å; E1609-S1613 VanDerWaalsContact O-N 3.15Å; Q1610-S1613 WeakPolarHBondContact O-CB 3.35Å; Q1610-S1613 PolarHBondContact O-N 3.08Å; Q1610-S1613 PolarHBondContact O-OG 2.83Å; A1611-S1613 PolarHBondContact O-N 2.84Å; A1611-S1613 VanDerWaalsContact O-N 3.13Å |
| 1614 | Q | 63.9 | Low | 74.8 | Confident | 104 Ų | 104 | 51.8 Ų | 51.8 | 49% | 0.486 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -109.1 | -36.7 | -175.4 | -63.2 | -176.1 | -4 | 0 | 0 | 112.5 | A1585 A1611 M1612 | A1585-Q1614 HydrophobicContact CB-CB 3.77Å; A1611-Q1614 PolarHBondContact O-N 2.79Å; M1612-Q1614 PolarHBondContact O-N 3.01Å |
| 1615 | S | 62.8 | Low | 74.6 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -123.7 | 132.6 | -178 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | A1611 M1612 H1617 | A1611-S1615 PolarHBondContact O-N 2.94Å; A1611-S1615 PolarHBondContact O-OG 2.83Å; M1612-S1615 CarbonylContact C-O 3.51Å; M1612-S1615 VanDerWaalsContact CA-O 3.3Å; M1612-S1615 WeakPolarHBondContact CA-O 3.43Å; S1615-H1617 PolarHBondContact O-N 2.89Å; S1615-H1617 PolarHBondContact OG-CD2 2.94Å |
| 1616 | K | 67.7 | Low | 74.8 | Confident | 177 Ų | 177 | 53.1 Ų | 53.1 | 77% | 0.77 | 27% | 0.268 | S | S | * | . | trans | -73.5 | 36.7 | -170.7 | -67 | 177.8 | 179.8 | 170.1 | 0 | 114.2 | Y1618 | K1616-Y1618 HydrophobicContact CB-CD2 4.18Å; K1616-Y1618 HydrophobicContact CB-CE2 3.7Å; K1616-Y1618 HydrophobicContact CG-CE2 3.95Å; K1616-Y1618 WeakPolarHBondContact O-CD2 3.26Å; K1616-Y1618 PolarHBondContact O-N 3.32Å | ||
| 1617 | H | 68.4 | Low | 74.6 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | trans | -76.8 | 57.5 | 179 | -70.1 | -72.2 | 0 | 0 | 0 | 112.2 | S1615 V1619 E1620 | S1615-H1617 PolarHBondContact O-N 2.89Å; S1615-H1617 PolarHBondContact OG-CD2 2.94Å; H1617-V1619 PolarHBondContact O-N 3.28Å; H1617-E1620 VanDerWaalsContact C-OE2 3.25Å; H1617-E1620 VanDerWaalsContact CA-OE2 3.29Å; H1617-E1620 WeakPolarHBondContact CA-OE2 3.5Å; H1617-E1620 VanDerWaalsContact CB-OE2 3.28Å; H1617-E1620 WeakPolarHBondContact CB-OE2 3.5Å; H1617-E1620 IonicContact CE1-OE1 3.59Å; H1617-E1620 IonicContact CG-OE1 3.18Å; H1617-E1620 IonicContact CG-OE2 2.59Å; H1617-E1620 IonicContact ND1-OE1 3.23Å; H1617-E1620 PolarHBondContact ND1-OE1 2.92Å; H1617-E1620 IonicContact ND1-OE2 3.13Å | ||
| 1618 | Y | 72.4 | Confident | 74.1 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.9 | -20.1 | -177.1 | -61.2 | -62.3 | 0 | 0 | 0 | 113.5 | M1612 K1616 A1622 L1637 T1641 | M1612-Y1618 HydrophobicContact SD-CD1 4.07Å; K1616-Y1618 HydrophobicContact CB-CD2 4.18Å; K1616-Y1618 HydrophobicContact CB-CE2 3.7Å; K1616-Y1618 HydrophobicContact CG-CE2 3.95Å; K1616-Y1618 WeakPolarHBondContact O-CD2 3.26Å; K1616-Y1618 PolarHBondContact O-N 3.32Å; Y1618-A1622 VanDerWaalsContact O-CB 3.31Å; Y1618-A1622 WeakPolarHBondContact O-CB 3.2Å; Y1618-A1622 PolarHBondContact O-N 3.12Å; Y1618-L1637 HydrophobicContact CD1-CD2 3.81Å; Y1618-L1637 HydrophobicContact CG-CD2 4.49Å; Y1618-T1641 VanDerWaalsContact CB-CG2 3.43Å; Y1618-T1641 HydrophobicContact CD2-CG2 4.15Å; Y1618-T1641 HydrophobicContact CG-CG2 4.07Å |
| 1619 | V | 75.4 | Confident | 73.9 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -81.9 | -44 | -173.6 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | H1617 A1622 G1623 K1643 | H1617-V1619 PolarHBondContact O-N 3.28Å; V1619-A1622 PolarHBondContact O-N 3.32Å; V1619-G1623 PolarHBondContact O-N 2.77Å; V1619-K1643 HydrophobicContact CG2-CD 4.38Å |
| 1620 | E | 73.2 | Confident | 74 | Confident | 81 Ų | 81 | 59.2 Ų | 59.2 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 177.6 | -60.1 | 89.7 | 155.9 | 0 | 0 | 109.9 | H1617 A1622 G1623 M1624 | H1617-E1620 VanDerWaalsContact C-OE2 3.25Å; H1617-E1620 VanDerWaalsContact CA-OE2 3.29Å; H1617-E1620 WeakPolarHBondContact CA-OE2 3.5Å; H1617-E1620 VanDerWaalsContact CB-OE2 3.28Å; H1617-E1620 WeakPolarHBondContact CB-OE2 3.5Å; H1617-E1620 IonicContact CE1-OE1 3.59Å; H1617-E1620 IonicContact CG-OE1 3.18Å; H1617-E1620 IonicContact CG-OE2 2.59Å; H1617-E1620 IonicContact ND1-OE1 3.23Å; H1617-E1620 PolarHBondContact ND1-OE1 2.92Å; H1617-E1620 IonicContact ND1-OE2 3.13Å; E1620-A1622 PolarHBondContact O-N 3.09Å; E1620-G1623 WeakPolarHBondContact O-CA 3.39Å; E1620-G1623 PolarHBondContact O-N 3.2Å; E1620-G1623 VanDerWaalsContact O-N 3.13Å; E1620-M1624 PolarHBondContact O-N 3.25Å |
| 1621 | A | 73.5 | Confident | 74.2 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1612 G1623 M1624 Y1625 L1637 | M1612-A1621 HydrophobicContact CE-CB 3.24Å; M1612-A1621 HydrophobicContact CG-CB 3.8Å; M1612-A1621 HydrophobicContact SD-CB 3.23Å; M1612-A1621 WeakPolarHBondContact SD-CB 3.45Å; A1621-G1623 VanDerWaalsContact C-N 3.26Å; A1621-G1623 PolarHBondContact O-N 3.04Å; A1621-M1624 PolarHBondContact O-N 3.43Å; A1621-M1624 VanDerWaalsContact O-N 3.11Å; A1621-Y1625 WeakPolarHBondContact O-CD2 3.3Å; A1621-Y1625 PolarHBondContact O-N 3.26Å; A1621-L1637 HydrophobicContact CB-CD1 4.22Å |
| 1622 | A | 75.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -33.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y1618 V1619 E1620 L1626 L1637 F1638 | Y1618-A1622 VanDerWaalsContact O-CB 3.31Å; Y1618-A1622 WeakPolarHBondContact O-CB 3.2Å; Y1618-A1622 PolarHBondContact O-N 3.12Å; V1619-A1622 PolarHBondContact O-N 3.32Å; E1620-A1622 PolarHBondContact O-N 3.09Å; A1622-L1626 WeakPolarHBondContact O-CG 3.47Å; A1622-L1626 PolarHBondContact O-N 2.82Å; A1622-L1626 VanDerWaalsContact O-N 3.16Å; A1622-L1637 HydrophobicContact CB-CB 3.98Å; A1622-L1637 HydrophobicContact CB-CD1 4.27Å; A1622-F1638 HydrophobicContact CB-CD1 4.3Å; A1622-F1638 HydrophobicContact CB-CD2 4.3Å; A1622-F1638 HydrophobicContact CB-CE1 3.84Å; A1622-F1638 HydrophobicContact CB-CE2 3.82Å; A1622-F1638 HydrophobicContact CB-CZ 3.58Å |
| 1623 | G | 79.1 | Confident | 75 | Confident | 25 Ų | 25 | 62 Ų | 62 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1619 E1620 A1621 L1626 L1627 | V1619-G1623 PolarHBondContact O-N 2.77Å; E1620-G1623 WeakPolarHBondContact O-CA 3.39Å; E1620-G1623 PolarHBondContact O-N 3.2Å; E1620-G1623 VanDerWaalsContact O-N 3.13Å; A1621-G1623 VanDerWaalsContact C-N 3.26Å; A1621-G1623 PolarHBondContact O-N 3.04Å; G1623-L1626 WeakPolarHBondContact O-CB 3.38Å; G1623-L1626 PolarHBondContact O-N 3.14Å; G1623-L1627 PolarHBondContact O-N 3.15Å; G1623-L1627 VanDerWaalsContact O-N 3.09Å |
| 1624 | M | 75.2 | Confident | 75.5 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 176.3 | -69.5 | -55.9 | 112.6 | 0 | 0 | 113.2 | E1596 Y1608 E1620 A1621 L1626 L1627 C1628 | E1596-M1624 VanDerWaalsContact CD-SD 3.55Å; E1596-M1624 HydrophobicContact CG-CE 4.3Å; E1596-M1624 HydrophobicContact CG-SD 3.98Å; E1596-M1624 WeakPolarHBondContact OE1-CE 3.42Å; E1596-M1624 VanDerWaalsContact OE2-CE 3.29Å; E1596-M1624 WeakPolarHBondContact OE2-CE 3.32Å; Y1608-M1624 HydrophobicContact CD2-CB 4.38Å; Y1608-M1624 HydrophobicContact CD2-CG 3.49Å; Y1608-M1624 VanDerWaalsContact CD2-CG 3.49Å; Y1608-M1624 HydrophobicContact CD2-SD 4.34Å; Y1608-M1624 HydrophobicContact CE2-CG 3.42Å; Y1608-M1624 VanDerWaalsContact CE2-CG 3.42Å; Y1608-M1624 HydrophobicContact CE2-SD 3.79Å; Y1608-M1624 HydrophobicContact CG-CG 4.22Å; E1620-M1624 PolarHBondContact O-N 3.25Å; A1621-M1624 PolarHBondContact O-N 3.43Å; A1621-M1624 VanDerWaalsContact O-N 3.11Å; M1624-L1626 PolarHBondContact O-N 3.27Å; M1624-L1627 HydrophobicContact CE-CD1 3.34Å; M1624-L1627 WeakPolarHBondContact O-CB 3.37Å; M1624-L1627 PolarHBondContact O-N 3.45Å; M1624-L1627 HydrophobicContact SD-CD1 3.85Å; M1624-C1628 PolarHBondContact O-N 3.01Å; M1624-C1628 PolarHBondContact O-SG 2.93Å |
| 1625 | Y | 78.4 | Confident | 76.4 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -31.8 | 173.6 | -73.1 | -67.7 | 0 | 0 | 0 | 112.1 | M1605 E1609 M1612 A1621 K1629 D1630 N1633 L1637 | M1605-Y1625 HydrophobicContact CE-CE1 4.21Å; M1605-Y1625 HydrophobicContact CG-CD1 4.48Å; M1605-Y1625 HydrophobicContact CG-CE1 4Å; M1605-Y1625 HydrophobicContact SD-CD1 3.83Å; M1605-Y1625 HydrophobicContact SD-CE1 3.49Å; M1605-Y1625 WeakPolarHBondContact SD-CE1 3.25Å; E1609-Y1625 WeakPolarHBondContact CG-OH 3.17Å; E1609-Y1625 PolarHBondContact OE1-OH 2.9Å; M1612-Y1625 HydrophobicContact CE-CE2 4.23Å; A1621-Y1625 WeakPolarHBondContact O-CD2 3.3Å; A1621-Y1625 PolarHBondContact O-N 3.26Å; Y1625-K1629 PolarHBondContact O-N 3.36Å; Y1625-K1629 VanDerWaalsContact O-N 3.14Å; Y1625-D1630 HydrophobicContact CD1-CB 3.95Å; Y1625-D1630 PolarHBondContact O-N 3.32Å; Y1625-N1633 HydrophobicContact CD1-CB 3.66Å; Y1625-N1633 HydrophobicContact CD2-CB 4.25Å; Y1625-N1633 HydrophobicContact CE1-CB 3.7Å; Y1625-N1633 HydrophobicContact CE2-CB 4.28Å; Y1625-N1633 HydrophobicContact CG-CB 3.93Å; Y1625-L1637 HydrophobicContact CD2-CD1 3.51Å; Y1625-L1637 HydrophobicContact CE2-CD1 3.42Å; Y1625-L1637 VanDerWaalsContact CE2-CD1 3.42Å |
| 1626 | L | 80.3 | Confident | 77.4 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 171.3 | -78.3 | 166 | 0 | 0 | 0 | 112.3 | A1622 G1623 M1624 K1629 Y1631 A1634 F1638 I1649 | A1622-L1626 WeakPolarHBondContact O-CG 3.47Å; A1622-L1626 PolarHBondContact O-N 2.82Å; A1622-L1626 VanDerWaalsContact O-N 3.16Å; G1623-L1626 WeakPolarHBondContact O-CB 3.38Å; G1623-L1626 PolarHBondContact O-N 3.14Å; M1624-L1626 PolarHBondContact O-N 3.27Å; L1626-K1629 PolarHBondContact O-N 3.31Å; L1626-Y1631 HydrophobicContact CD2-CD1 4.07Å; L1626-Y1631 HydrophobicContact CD2-CE1 4.19Å; L1626-A1634 HydrophobicContact CD2-CB 4.44Å; L1626-A1634 HydrophobicContact CG-CB 4.13Å; L1626-F1638 HydrophobicContact CD1-CE2 3.82Å; L1626-F1638 HydrophobicContact CD1-CZ 3.98Å; L1626-F1638 HydrophobicContact CG-CE2 4.36Å; L1626-I1649 HydrophobicContact CD1-CD1 4.46Å; L1626-I1649 HydrophobicContact CD2-CD1 4.06Å; L1626-I1649 HydrophobicContact CD2-CG1 4.22Å; L1626-I1649 HydrophobicContact CD2-CG2 3.88Å |
| 1627 | L | 78.7 | Confident | 78 | Confident | 94 Ų | 94 | 46.8 Ų | 46.8 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.5 | -81.6 | 152.3 | 0 | 0 | 0 | 112.1 | G1623 M1624 K1629 | G1623-L1627 PolarHBondContact O-N 3.15Å; G1623-L1627 VanDerWaalsContact O-N 3.09Å; M1624-L1627 HydrophobicContact CE-CD1 3.34Å; M1624-L1627 WeakPolarHBondContact O-CB 3.37Å; M1624-L1627 PolarHBondContact O-N 3.45Å; M1624-L1627 HydrophobicContact SD-CD1 3.85Å; L1627-K1629 PolarHBondContact O-N 2.73Å |
| 1628 | C | 74.4 | Confident | 78.7 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -1.8 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | M1624 D1630 | M1624-C1628 PolarHBondContact O-N 3.01Å; M1624-C1628 PolarHBondContact O-SG 2.93Å; C1628-D1630 PolarHBondContact O-N 3.39Å |
| 1629 | K | 78 | Confident | 79.2 | Confident | 155 Ų | 155 | 41.4 Ų | 41.4 | 67% | 0.674 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 22.9 | -174.9 | -55.1 | 179.8 | -178.9 | 174.7 | 0 | 114 | Y1625 L1626 L1627 Y1631 | Y1625-K1629 PolarHBondContact O-N 3.36Å; Y1625-K1629 VanDerWaalsContact O-N 3.14Å; L1626-K1629 PolarHBondContact O-N 3.31Å; L1627-K1629 PolarHBondContact O-N 2.73Å; K1629-Y1631 VanDerWaalsContact C-N 3.28Å; K1629-Y1631 HydrophobicContact CB-CE2 4Å; K1629-Y1631 VanDerWaalsContact O-CD2 3.28Å; K1629-Y1631 WeakPolarHBondContact O-CD2 3.46Å; K1629-Y1631 PolarHBondContact O-N 2.98Å; K1629-Y1631 VanDerWaalsContact O-N 3.14Å |
| 1630 | D | 80.1 | Confident | 79.4 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | trans | -88.2 | 73.6 | 171.7 | -168.6 | -14.7 | 0 | 0 | 0 | 109.3 | Y1625 C1628 D1632 N1633 A1634 | Y1625-D1630 HydrophobicContact CD1-CB 3.95Å; Y1625-D1630 PolarHBondContact O-N 3.32Å; C1628-D1630 PolarHBondContact O-N 3.39Å; D1630-D1632 PolarHBondContact O-N 2.84Å; D1630-N1633 PolarHBondContact O-N 3.17Å; D1630-N1633 PolarHBondContact OD1-N 3.1Å; D1630-N1633 PolarHBondContact OD2-ND2 3.41Å; D1630-A1634 WeakPolarHBondContact O-CB 3.36Å; D1630-A1634 PolarHBondContact O-N 3.05Å; D1630-A1634 VanDerWaalsContact O-N 3.1Å | ||
| 1631 | Y | 82.5 | Confident | 79.6 | Confident | 64 Ų | 64 | 44.3 Ų | 44.3 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.3 | -27.5 | -177.3 | -59 | -66.1 | 0 | 0 | 0 | 112.5 | L1626 K1629 A1635 I1649 N1652 | L1626-Y1631 HydrophobicContact CD2-CD1 4.07Å; L1626-Y1631 HydrophobicContact CD2-CE1 4.19Å; K1629-Y1631 VanDerWaalsContact C-N 3.28Å; K1629-Y1631 HydrophobicContact CB-CE2 4Å; K1629-Y1631 VanDerWaalsContact O-CD2 3.28Å; K1629-Y1631 WeakPolarHBondContact O-CD2 3.46Å; K1629-Y1631 PolarHBondContact O-N 2.98Å; K1629-Y1631 VanDerWaalsContact O-N 3.14Å; Y1631-A1635 WeakPolarHBondContact O-CB 3.43Å; Y1631-A1635 PolarHBondContact O-N 2.84Å; Y1631-I1649 HydrophobicContact CD1-CG2 3.54Å; Y1631-I1649 HydrophobicContact CE1-CG2 4.47Å; Y1631-I1649 HydrophobicContact CG-CG2 4.2Å; Y1631-N1652 HydrophobicContact CD1-CB 4.11Å; Y1631-N1652 HydrophobicContact CD2-CB 3.45Å; Y1631-N1652 VanDerWaalsContact CD2-CB 3.45Å; Y1631-N1652 HydrophobicContact CE1-CB 4.4Å; Y1631-N1652 HydrophobicContact CE2-CB 3.78Å; Y1631-N1652 HydrophobicContact CG-CB 3.62Å |
| 1632 | D | 81.9 | Confident | 79.6 | Confident | 29 Ų | 29 | 51.4 Ų | 51.4 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.5 | -48.2 | -178.9 | -74.2 | -24.6 | 0 | 0 | 0 | 111.2 | D1630 A1635 L1636 V1653 S1654 N1655 | D1630-D1632 PolarHBondContact O-N 2.84Å; D1632-A1635 PolarHBondContact O-N 3.35Å; D1632-L1636 WeakPolarHBondContact O-CG 3.31Å; D1632-L1636 PolarHBondContact O-N 3.18Å; D1632-V1653 WeakPolarHBondContact OD1-CA 3.4Å; D1632-V1653 WeakPolarHBondContact OD1-CG1 3.5Å; D1632-S1654 PolarHBondContact OD1-N 3.49Å; D1632-S1654 PolarHBondContact OD2-OG 2.85Å; D1632-N1655 HydrophobicContact CB-CB 4.04Å; D1632-N1655 VanDerWaalsContact CG-CB 3.48Å; D1632-N1655 PolarHBondContact OD1-N 3.03Å; D1632-N1655 WeakPolarHBondContact OD2-CB 3.14Å; D1632-N1655 PolarHBondContact OD2-N 3.28Å |
| 1633 | N | 81.7 | Confident | 79.5 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 32% | 0.321 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72.6 | -38.8 | 178 | -75.4 | -34.2 | 0 | 0 | 0 | 112.4 | Y1625 D1630 A1635 L1636 L1637 | Y1625-N1633 HydrophobicContact CD1-CB 3.66Å; Y1625-N1633 HydrophobicContact CD2-CB 4.25Å; Y1625-N1633 HydrophobicContact CE1-CB 3.7Å; Y1625-N1633 HydrophobicContact CE2-CB 4.28Å; Y1625-N1633 HydrophobicContact CG-CB 3.93Å; D1630-N1633 PolarHBondContact O-N 3.17Å; D1630-N1633 PolarHBondContact OD1-N 3.1Å; D1630-N1633 PolarHBondContact OD2-ND2 3.41Å; N1633-A1635 VanDerWaalsContact C-N 3.28Å; N1633-A1635 PolarHBondContact O-N 2.66Å; N1633-L1636 PolarHBondContact O-N 3.46Å; N1633-L1637 PolarHBondContact O-N 3.18Å |
| 1634 | A | 82.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.4 | -47.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1626 D1630 L1636 L1637 F1638 | L1626-A1634 HydrophobicContact CD2-CB 4.44Å; L1626-A1634 HydrophobicContact CG-CB 4.13Å; D1630-A1634 WeakPolarHBondContact O-CB 3.36Å; D1630-A1634 PolarHBondContact O-N 3.05Å; D1630-A1634 VanDerWaalsContact O-N 3.1Å; A1634-L1636 PolarHBondContact O-N 3.1Å; A1634-L1637 PolarHBondContact O-N 3.3Å; A1634-F1638 HydrophobicContact CB-CD2 4.45Å; A1634-F1638 HydrophobicContact CB-CE2 4.3Å; A1634-F1638 WeakPolarHBondContact O-CD2 3.42Å; A1634-F1638 PolarHBondContact O-N 3.47Å |
| 1635 | A | 82.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y1631 D1632 N1633 F1638 L1639 L1646 V1653 V1658 | Y1631-A1635 WeakPolarHBondContact O-CB 3.43Å; Y1631-A1635 PolarHBondContact O-N 2.84Å; D1632-A1635 PolarHBondContact O-N 3.35Å; N1633-A1635 VanDerWaalsContact C-N 3.28Å; N1633-A1635 PolarHBondContact O-N 2.66Å; A1635-F1638 PolarHBondContact O-N 3.37Å; A1635-L1639 WeakPolarHBondContact O-CB 3.34Å; A1635-L1639 WeakPolarHBondContact O-CG 3.45Å; A1635-L1639 PolarHBondContact O-N 3.18Å; A1635-L1646 VanDerWaalsContact CA-CD1 3.44Å; A1635-L1646 HydrophobicContact CB-CD1 3.59Å; A1635-L1646 WeakPolarHBondContact O-CD1 3.27Å; A1635-V1653 HydrophobicContact CB-CG2 3.67Å; A1635-V1658 HydrophobicContact CB-CG1 3.74Å; A1635-V1658 HydrophobicContact CB-CG2 4.33Å |
| 1636 | L | 82.8 | Confident | 78.7 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 173.6 | -74.4 | 170.4 | 0 | 0 | 0 | 112.1 | D1632 N1633 A1634 L1639 K1640 V1658 L1661 | D1632-L1636 WeakPolarHBondContact O-CG 3.31Å; D1632-L1636 PolarHBondContact O-N 3.18Å; N1633-L1636 PolarHBondContact O-N 3.46Å; A1634-L1636 PolarHBondContact O-N 3.1Å; L1636-L1639 PolarHBondContact O-N 3.47Å; L1636-K1640 PolarHBondContact O-N 3.02Å; L1636-V1658 HydrophobicContact CD2-CG2 3.98Å; L1636-V1658 HydrophobicContact CG-CG2 3.95Å; L1636-L1661 HydrophobicContact CD2-CD1 4Å |
| 1637 | L | 82.1 | Confident | 78.5 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68 | -40.4 | 176.9 | -78.3 | 169.1 | 0 | 0 | 0 | 112.5 | M1612 Y1618 A1621 A1622 Y1625 N1633 A1634 K1640 T1641 | M1612-L1637 HydrophobicContact CE-CD1 4.45Å; M1612-L1637 HydrophobicContact SD-CD1 4.18Å; M1612-L1637 HydrophobicContact SD-CD2 3.99Å; Y1618-L1637 HydrophobicContact CD1-CD2 3.81Å; Y1618-L1637 HydrophobicContact CG-CD2 4.49Å; A1621-L1637 HydrophobicContact CB-CD1 4.22Å; A1622-L1637 HydrophobicContact CB-CB 3.98Å; A1622-L1637 HydrophobicContact CB-CD1 4.27Å; Y1625-L1637 HydrophobicContact CD2-CD1 3.51Å; Y1625-L1637 HydrophobicContact CE2-CD1 3.42Å; Y1625-L1637 VanDerWaalsContact CE2-CD1 3.42Å; N1633-L1637 PolarHBondContact O-N 3.18Å; A1634-L1637 PolarHBondContact O-N 3.3Å; L1637-K1640 WeakPolarHBondContact O-CB 3.44Å; L1637-K1640 PolarHBondContact O-N 3.19Å; L1637-T1641 PolarHBondContact O-N 3.27Å; L1637-T1641 PolarHBondContact O-OG1 2.92Å |
| 1638 | F | 82.4 | Confident | 78.4 | Confident | 9 Ų | 9 | 71.2 Ų | 71.2 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 173.9 | -73.8 | -55.4 | 0 | 0 | 0 | 112.4 | A1622 L1626 A1634 A1635 K1640 T1641 K1642 K1643 L1646 I1649 | A1622-F1638 HydrophobicContact CB-CD1 4.3Å; A1622-F1638 HydrophobicContact CB-CD2 4.3Å; A1622-F1638 HydrophobicContact CB-CE1 3.84Å; A1622-F1638 HydrophobicContact CB-CE2 3.82Å; A1622-F1638 HydrophobicContact CB-CZ 3.58Å; L1626-F1638 HydrophobicContact CD1-CE2 3.82Å; L1626-F1638 HydrophobicContact CD1-CZ 3.98Å; L1626-F1638 HydrophobicContact CG-CE2 4.36Å; A1634-F1638 HydrophobicContact CB-CD2 4.45Å; A1634-F1638 HydrophobicContact CB-CE2 4.3Å; A1634-F1638 WeakPolarHBondContact O-CD2 3.42Å; A1634-F1638 PolarHBondContact O-N 3.47Å; A1635-F1638 PolarHBondContact O-N 3.37Å; F1638-K1640 VanDerWaalsContact C-N 3.3Å; F1638-K1640 PolarHBondContact O-N 3.22Å; F1638-T1641 WeakPolarHBondContact CA-OG1 3.48Å; F1638-T1641 PolarHBondContact O-N 3.42Å; F1638-T1641 PolarHBondContact O-OG1 2.97Å; F1638-K1642 PolarHBondContact O-N 3.03Å; F1638-K1643 HydrophobicContact CD1-CB 3.99Å; F1638-K1643 PolarHBondContact O-N 2.98Å; F1638-L1646 HydrophobicContact CB-CB 4.4Å; F1638-L1646 HydrophobicContact CB-CD1 3.79Å; F1638-I1649 HydrophobicContact CD2-CD1 3.28Å; F1638-I1649 HydrophobicContact CE2-CD1 3.28Å; F1638-I1649 HydrophobicContact CG-CD1 4.34Å; F1638-I1649 HydrophobicContact CZ-CD1 4.33Å |
| 1639 | L | 82.8 | Confident | 78.7 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 171.6 | -84.1 | 165.6 | 0 | 0 | 0 | 112 | A1635 L1636 L1646 V1658 L1661 Y1662 | A1635-L1639 WeakPolarHBondContact O-CB 3.34Å; A1635-L1639 WeakPolarHBondContact O-CG 3.45Å; A1635-L1639 PolarHBondContact O-N 3.18Å; L1636-L1639 PolarHBondContact O-N 3.47Å; L1639-L1646 HydrophobicContact CD1-CD2 4.48Å; L1639-L1646 HydrophobicContact CD2-CD2 3.81Å; L1639-L1646 HydrophobicContact CG-CD1 4.15Å; L1639-L1646 HydrophobicContact CG-CD2 3.82Å; L1639-V1658 HydrophobicContact CD1-CB 4.47Å; L1639-V1658 HydrophobicContact CD1-CG1 3.73Å; L1639-L1661 HydrophobicContact CD1-CB 4.11Å; L1639-Y1662 HydrophobicContact CD2-CD2 4.27Å |
| 1640 | K | 79.5 | Confident | 78.8 | Confident | 157 Ų | 157 | 63 Ų | 63 | 68% | 0.683 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70.1 | -39.6 | 178.8 | -136 | 178.6 | -175.7 | -176.9 | 0 | 112.3 | L1636 L1637 F1638 K1642 | L1636-K1640 PolarHBondContact O-N 3.02Å; L1637-K1640 WeakPolarHBondContact O-CB 3.44Å; L1637-K1640 PolarHBondContact O-N 3.19Å; F1638-K1640 VanDerWaalsContact C-N 3.3Å; F1638-K1640 PolarHBondContact O-N 3.22Å; K1640-K1642 VanDerWaalsContact C-N 3.31Å |
| 1641 | T | 77.3 | Confident | 78.8 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -82.9 | -3.6 | 178.8 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | Y1618 L1637 F1638 K1643 | Y1618-T1641 VanDerWaalsContact CB-CG2 3.43Å; Y1618-T1641 HydrophobicContact CD2-CG2 4.15Å; Y1618-T1641 HydrophobicContact CG-CG2 4.07Å; L1637-T1641 PolarHBondContact O-N 3.27Å; L1637-T1641 PolarHBondContact O-OG1 2.92Å; F1638-T1641 WeakPolarHBondContact CA-OG1 3.48Å; F1638-T1641 PolarHBondContact O-N 3.42Å; F1638-T1641 PolarHBondContact O-OG1 2.97Å; T1641-K1643 PolarHBondContact O-N 3.47Å |
| 1642 | K | 74.3 | Confident | 78.7 | Confident | 151 Ų | 151 | 66.4 Ų | 66.4 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 27.1 | -174.4 | -59.7 | -177.5 | -179.9 | 178.6 | 0 | 113.5 | F1638 K1640 W1644 | F1638-K1642 PolarHBondContact O-N 3.03Å; K1640-K1642 VanDerWaalsContact C-N 3.31Å; K1642-W1644 HydrophobicContact CB-CH2 4.09Å; K1642-W1644 HydrophobicContact CB-CZ2 3.97Å; K1642-W1644 HydrophobicContact CG-CH2 4.31Å; K1642-W1644 HydrophobicContact CG-CZ2 4.48Å |
| 1643 | K | 72.9 | Confident | 78.6 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | trans | -85.6 | 114.2 | 172.3 | -85.2 | -170.7 | 174.8 | -177.4 | 0 | 109.4 | V1619 F1638 T1641 Q1645 | V1619-K1643 HydrophobicContact CG2-CD 4.38Å; F1638-K1643 HydrophobicContact CD1-CB 3.99Å; F1638-K1643 PolarHBondContact O-N 2.98Å; T1641-K1643 PolarHBondContact O-N 3.47Å; K1643-Q1645 PolarHBondContact O-N 2.84Å | ||
| 1644 | W | 71.8 | Confident | 78.5 | Confident | 138 Ų | 138 | 66.3 Ų | 66.3 | 52% | 0.523 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 8.8 | -174.1 | -48.2 | 126.8 | 0 | 0 | 0 | 115.2 | K1642 L1646 Q1647 | K1642-W1644 HydrophobicContact CB-CH2 4.09Å; K1642-W1644 HydrophobicContact CB-CZ2 3.97Å; K1642-W1644 HydrophobicContact CG-CH2 4.31Å; K1642-W1644 HydrophobicContact CG-CZ2 4.48Å; W1644-L1646 PolarHBondContact O-N 2.87Å; W1644-Q1647 PolarHBondContact O-N 3.35Å |
| 1645 | Q | 70.6 | Confident | 78.2 | Confident | 112 Ų | 112 | 68.7 Ų | 68.7 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -18.6 | 164.7 | -72.3 | 170.7 | -37.8 | 0 | 0 | 112 | K1643 Q1647 Q1648 | K1643-Q1645 PolarHBondContact O-N 2.84Å; Q1645-Q1647 PolarHBondContact O-N 3.46Å; Q1645-Q1648 PolarHBondContact O-N 3.35Å; Q1645-Q1648 VanDerWaalsContact O-N 3.12Å |
| 1646 | L | 74 | Confident | 77.8 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -39.7 | -38.3 | 166.8 | -164.5 | 82.9 | 0 | 0 | 0 | 114.5 | A1635 F1638 L1639 W1644 Q1648 I1649 L1650 Y1662 | A1635-L1646 VanDerWaalsContact CA-CD1 3.44Å; A1635-L1646 HydrophobicContact CB-CD1 3.59Å; A1635-L1646 WeakPolarHBondContact O-CD1 3.27Å; F1638-L1646 HydrophobicContact CB-CB 4.4Å; F1638-L1646 HydrophobicContact CB-CD1 3.79Å; L1639-L1646 HydrophobicContact CD1-CD2 4.48Å; L1639-L1646 HydrophobicContact CD2-CD2 3.81Å; L1639-L1646 HydrophobicContact CG-CD1 4.15Å; L1639-L1646 HydrophobicContact CG-CD2 3.82Å; W1644-L1646 PolarHBondContact O-N 2.87Å; L1646-Q1648 PolarHBondContact O-N 2.97Å; L1646-I1649 PolarHBondContact O-N 3.49Å; L1646-L1650 HydrophobicContact CD2-CD1 4.4Å; L1646-L1650 HydrophobicContact CD2-CD2 4.39Å; L1646-L1650 HydrophobicContact CD2-CG 4.39Å; L1646-L1650 HydrophobicContact CG-CD2 4.47Å; L1646-L1650 HydrophobicContact CG-CG 4.17Å; L1646-L1650 WeakPolarHBondContact O-CG 2.95Å; L1646-L1650 PolarHBondContact O-N 2.99Å; L1646-Y1662 HydrophobicContact CD2-CD2 3.42Å; L1646-Y1662 VanDerWaalsContact CD2-CD2 3.42Å; L1646-Y1662 HydrophobicContact CD2-CE2 3.73Å; L1646-Y1662 HydrophobicContact CD2-CG 4.32Å |
| 1647 | Q | 74.5 | Confident | 77.7 | Confident | 129 Ų | 129 | 75 Ų | 75 | 60% | 0.603 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.2 | -31.8 | -177.1 | -84 | -176.4 | -14.7 | 0 | 0 | 114 | W1644 Q1645 I1649 L1650 | W1644-Q1647 PolarHBondContact O-N 3.35Å; Q1645-Q1647 PolarHBondContact O-N 3.46Å; Q1647-I1649 VanDerWaalsContact C-N 3.28Å; Q1647-L1650 HydrophobicContact CG-CD1 4.49Å |
| 1648 | Q | 77.5 | Confident | 77.8 | Confident | 167 Ų | 167 | 74.1 Ų | 74.1 | 78% | 0.78 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -74.9 | -23.1 | 178 | -64.4 | 177.5 | -6.1 | 0 | 0 | 112.3 | Q1645 L1646 | Q1645-Q1648 PolarHBondContact O-N 3.35Å; Q1645-Q1648 VanDerWaalsContact O-N 3.12Å; L1646-Q1648 PolarHBondContact O-N 2.97Å |
| 1649 | I | 80.5 | Confident | 78 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.062 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -97 | -29.9 | -172.8 | -36.1 | 169.7 | 0 | 0 | 0 | 110.9 | L1626 Y1631 F1638 L1646 Q1647 P1651 N1652 | L1626-I1649 HydrophobicContact CD1-CD1 4.46Å; L1626-I1649 HydrophobicContact CD2-CD1 4.06Å; L1626-I1649 HydrophobicContact CD2-CG1 4.22Å; L1626-I1649 HydrophobicContact CD2-CG2 3.88Å; Y1631-I1649 HydrophobicContact CD1-CG2 3.54Å; Y1631-I1649 HydrophobicContact CE1-CG2 4.47Å; Y1631-I1649 HydrophobicContact CG-CG2 4.2Å; F1638-I1649 HydrophobicContact CD2-CD1 3.28Å; F1638-I1649 HydrophobicContact CE2-CD1 3.28Å; F1638-I1649 HydrophobicContact CG-CD1 4.34Å; F1638-I1649 HydrophobicContact CZ-CD1 4.33Å; L1646-I1649 PolarHBondContact O-N 3.49Å; Q1647-I1649 VanDerWaalsContact C-N 3.28Å; I1649-P1651 VanDerWaalsContact C-N 3.27Å; I1649-P1651 WeakPolarHBondContact O-CD 3.3Å; I1649-N1652 PolarHBondContact O-N 3.28Å |
| 1650 | L | 79.4 | Confident | 78 | Confident | 17 Ų | 17 | 74 Ų | 74 | 9% | 0.089 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -46.4 | -34.2 | 179.8 | -82.7 | 170.5 | 0 | 0 | 0 | 115.8 | L1646 Q1647 N1652 V1653 V1658 F1659 Y1662 | L1646-L1650 HydrophobicContact CD2-CD1 4.4Å; L1646-L1650 HydrophobicContact CD2-CD2 4.39Å; L1646-L1650 HydrophobicContact CD2-CG 4.39Å; L1646-L1650 HydrophobicContact CG-CD2 4.47Å; L1646-L1650 HydrophobicContact CG-CG 4.17Å; L1646-L1650 WeakPolarHBondContact O-CG 2.95Å; L1646-L1650 PolarHBondContact O-N 2.99Å; Q1647-L1650 HydrophobicContact CG-CD1 4.49Å; L1650-N1652 PolarHBondContact O-N 3.45Å; L1650-V1653 PolarHBondContact O-N 3.03Å; L1650-V1658 HydrophobicContact CD2-CG1 4.41Å; L1650-F1659 HydrophobicContact CD2-CD1 4.18Å; L1650-F1659 HydrophobicContact CD2-CE1 3.78Å; L1650-F1659 HydrophobicContact CD2-CZ 4.31Å; L1650-F1659 WeakPolarHBondContact O-CZ 3.44Å; L1650-Y1662 HydrophobicContact CD1-CD1 4.13Å; L1650-Y1662 HydrophobicContact CD1-CD2 4.36Å; L1650-Y1662 HydrophobicContact CD1-CE1 3.7Å; L1650-Y1662 HydrophobicContact CD1-CE2 3.93Å; L1650-Y1662 HydrophobicContact CD1-CG 4.44Å |
| 1651 | P | 80.9 | Confident | 78.2 | Confident | 94 Ų | 94 | 70.4 Ų | 70.4 | 61% | 0.61 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -62.4 | -27.2 | 176.5 | -23.3 | 34.6 | 0 | 0 | 0 | 114.3 | I1649 | I1649-P1651 VanDerWaalsContact C-N 3.27Å; I1649-P1651 WeakPolarHBondContact O-CD 3.3Å |
| 1652 | N | 80.1 | Confident | 78.6 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -100.1 | -3.8 | -175.7 | -61.2 | -13.8 | 0 | 0 | 0 | 113.1 | Y1631 I1649 L1650 | Y1631-N1652 HydrophobicContact CD1-CB 4.11Å; Y1631-N1652 HydrophobicContact CD2-CB 3.45Å; Y1631-N1652 VanDerWaalsContact CD2-CB 3.45Å; Y1631-N1652 HydrophobicContact CE1-CB 4.4Å; Y1631-N1652 HydrophobicContact CE2-CB 3.78Å; Y1631-N1652 HydrophobicContact CG-CB 3.62Å; I1649-N1652 PolarHBondContact O-N 3.28Å; L1650-N1652 PolarHBondContact O-N 3.45Å |
| 1653 | V | 79.6 | Confident | 79.2 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | trans | -76.6 | 125.1 | 179.3 | 172.7 | 0 | 0 | 0 | 0 | 109.2 | D1632 A1635 L1650 V1658 F1659 | D1632-V1653 WeakPolarHBondContact OD1-CA 3.4Å; D1632-V1653 WeakPolarHBondContact OD1-CG1 3.5Å; A1635-V1653 HydrophobicContact CB-CG2 3.67Å; L1650-V1653 PolarHBondContact O-N 3.03Å; V1653-V1658 HydrophobicContact CG1-CB 3.61Å; V1653-V1658 HydrophobicContact CG1-CG1 3.7Å; V1653-V1658 HydrophobicContact CG1-CG2 3.88Å; V1653-F1659 HydrophobicContact CB-CE2 4.1Å; V1653-F1659 HydrophobicContact CB-CZ 4.2Å; V1653-F1659 HydrophobicContact CG1-CD2 4.4Å; V1653-F1659 HydrophobicContact CG1-CE2 3.82Å; V1653-F1659 HydrophobicContact CG1-CZ 4.34Å; V1653-F1659 WeakPolarHBondContact O-CE2 3.29Å | ||
| 1654 | S | 79.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 63 Ų | 63 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | trans | -96 | -24.7 | 176.3 | 36.8 | 0 | 0 | 0 | 0 | 113.2 | D1632 P1656 I1685 | D1632-S1654 PolarHBondContact OD1-N 3.49Å; D1632-S1654 PolarHBondContact OD2-OG 2.85Å; S1654-P1656 VanDerWaalsContact O-CD 3.26Å; S1654-P1656 WeakPolarHBondContact O-CD 3.49Å; S1654-I1685 WeakPolarHBondContact O-CG2 3.28Å | ||
| 1655 | N | 77.3 | Confident | 80.4 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | trans | -78.1 | 114.8 | -171.4 | -168.8 | -18 | 0 | 0 | 0 | 112.1 | D1632 R1657 V1658 | D1632-N1655 HydrophobicContact CB-CB 4.04Å; D1632-N1655 VanDerWaalsContact CG-CB 3.48Å; D1632-N1655 PolarHBondContact OD1-N 3.03Å; D1632-N1655 WeakPolarHBondContact OD2-CB 3.14Å; D1632-N1655 PolarHBondContact OD2-N 3.28Å; N1655-R1657 PolarHBondContact O-N 2.84Å; N1655-R1657 VanDerWaalsContact O-N 3.09Å; N1655-R1657 WeakPolarHBondContact OD1-CB 3.41Å; N1655-R1657 PolarHBondContact OD1-N 3.48Å; N1655-V1658 HydrophobicContact CB-CG2 4.13Å; N1655-V1658 WeakPolarHBondContact O-CB 3.28Å; N1655-V1658 PolarHBondContact O-N 3.4Å | ||
| 1656 | P | 75.2 | Confident | 81.1 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -17 | -178.3 | 26.2 | -32.7 | 0 | 0 | 0 | 113.3 | S1654 V1658 F1659 T1660 I1685 F1686 | S1654-P1656 VanDerWaalsContact O-CD 3.26Å; S1654-P1656 WeakPolarHBondContact O-CD 3.49Å; P1656-V1658 VanDerWaalsContact C-N 3.31Å; P1656-V1658 PolarHBondContact O-N 2.93Å; P1656-F1659 PolarHBondContact O-N 2.65Å; P1656-T1660 PolarHBondContact O-N 2.87Å; P1656-T1660 PolarHBondContact O-OG1 3Å; P1656-I1685 HydrophobicContact CB-CB 4.24Å; P1656-I1685 HydrophobicContact CB-CG2 3.95Å; P1656-I1685 HydrophobicContact CG-CG2 4.01Å; P1656-F1686 HydrophobicContact CB-CD2 3.76Å; P1656-F1686 HydrophobicContact CB-CE1 4.28Å; P1656-F1686 HydrophobicContact CB-CE2 3.53Å; P1656-F1686 HydrophobicContact CB-CG 4.26Å; P1656-F1686 HydrophobicContact CB-CZ 3.8Å; P1656-F1686 HydrophobicContact CG-CD1 4.14Å; P1656-F1686 HydrophobicContact CG-CD2 4.19Å; P1656-F1686 HydrophobicContact CG-CE1 3.65Å; P1656-F1686 HydrophobicContact CG-CE2 3.81Å; P1656-F1686 HydrophobicContact CG-CG 4.33Å; P1656-F1686 HydrophobicContact CG-CZ 3.5Å |
| 1657 | R | 79.8 | Confident | 81.7 | Confident | 172 Ų | 172 | 54.5 Ų | 54.5 | 65% | 0.649 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.2 | -37.2 | 169.8 | -90.2 | -176.6 | 164.2 | 175.7 | -3.1 | 112.5 | N1655 T1660 L1661 | N1655-R1657 PolarHBondContact O-N 2.84Å; N1655-R1657 VanDerWaalsContact O-N 3.09Å; N1655-R1657 WeakPolarHBondContact OD1-CB 3.41Å; N1655-R1657 PolarHBondContact OD1-N 3.48Å; R1657-T1660 VanDerWaalsContact CA-OG1 3.25Å; R1657-T1660 WeakPolarHBondContact CA-OG1 3.31Å; R1657-T1660 PolarHBondContact O-N 2.76Å; R1657-T1660 PolarHBondContact O-OG1 3.02Å; R1657-T1660 VanDerWaalsContact O-OG1 3.11Å; R1657-L1661 WeakPolarHBondContact O-CB 3.41Å; R1657-L1661 VanDerWaalsContact O-CG 3.32Å; R1657-L1661 WeakPolarHBondContact O-CG 3.35Å; R1657-L1661 PolarHBondContact O-N 3.3Å |
| 1658 | V | 84.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 178 | 177 | 0 | 0 | 0 | 0 | 109.4 | A1635 L1636 L1639 L1650 V1653 N1655 P1656 T1660 L1661 Y1662 | A1635-V1658 HydrophobicContact CB-CG1 3.74Å; A1635-V1658 HydrophobicContact CB-CG2 4.33Å; L1636-V1658 HydrophobicContact CD2-CG2 3.98Å; L1636-V1658 HydrophobicContact CG-CG2 3.95Å; L1639-V1658 HydrophobicContact CD1-CB 4.47Å; L1639-V1658 HydrophobicContact CD1-CG1 3.73Å; L1650-V1658 HydrophobicContact CD2-CG1 4.41Å; V1653-V1658 HydrophobicContact CG1-CB 3.61Å; V1653-V1658 HydrophobicContact CG1-CG1 3.7Å; V1653-V1658 HydrophobicContact CG1-CG2 3.88Å; N1655-V1658 HydrophobicContact CB-CG2 4.13Å; N1655-V1658 WeakPolarHBondContact O-CB 3.28Å; N1655-V1658 PolarHBondContact O-N 3.4Å; P1656-V1658 VanDerWaalsContact C-N 3.31Å; P1656-V1658 PolarHBondContact O-N 2.93Å; V1658-T1660 PolarHBondContact O-N 2.95Å; V1658-L1661 PolarHBondContact O-N 3.3Å; V1658-Y1662 WeakPolarHBondContact O-CB 3.1Å; V1658-Y1662 PolarHBondContact O-N 2.78Å |
| 1659 | F | 85.7 | Confident | 82.4 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 177.5 | -68.6 | -78.4 | 0 | 0 | 0 | 113.4 | L1650 V1653 P1656 G1663 K1681 A1682 I1685 | L1650-F1659 HydrophobicContact CD2-CD1 4.18Å; L1650-F1659 HydrophobicContact CD2-CE1 3.78Å; L1650-F1659 HydrophobicContact CD2-CZ 4.31Å; L1650-F1659 WeakPolarHBondContact O-CZ 3.44Å; V1653-F1659 HydrophobicContact CB-CE2 4.1Å; V1653-F1659 HydrophobicContact CB-CZ 4.2Å; V1653-F1659 HydrophobicContact CG1-CD2 4.4Å; V1653-F1659 HydrophobicContact CG1-CE2 3.82Å; V1653-F1659 HydrophobicContact CG1-CZ 4.34Å; V1653-F1659 WeakPolarHBondContact O-CE2 3.29Å; P1656-F1659 PolarHBondContact O-N 2.65Å; F1659-G1663 PolarHBondContact O-N 2.91Å; F1659-K1681 HydrophobicContact CD1-CB 4.04Å; F1659-K1681 HydrophobicContact CD1-CD 4.36Å; F1659-K1681 HydrophobicContact CE1-CB 4.28Å; F1659-K1681 HydrophobicContact CE1-CD 3.9Å; F1659-K1681 HydrophobicContact CG-CB 4.41Å; F1659-A1682 HydrophobicContact CB-CB 3.81Å; F1659-I1685 HydrophobicContact CD2-CD1 3.42Å; F1659-I1685 VanDerWaalsContact CD2-CD1 3.42Å; F1659-I1685 HydrophobicContact CE2-CD1 3.28Å; F1659-I1685 HydrophobicContact CG-CD1 4.38Å; F1659-I1685 HydrophobicContact CZ-CD1 4.16Å |
| 1660 | T | 83.4 | Confident | 82.5 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 15% | 0.153 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.4 | -36.1 | 174.5 | 29.9 | 0 | 0 | 0 | 0 | 112.8 | P1656 R1657 V1658 K1664 Y1679 A1682 A1700 | P1656-T1660 PolarHBondContact O-N 2.87Å; P1656-T1660 PolarHBondContact O-OG1 3Å; R1657-T1660 VanDerWaalsContact CA-OG1 3.25Å; R1657-T1660 WeakPolarHBondContact CA-OG1 3.31Å; R1657-T1660 PolarHBondContact O-N 2.76Å; R1657-T1660 PolarHBondContact O-OG1 3.02Å; R1657-T1660 VanDerWaalsContact O-OG1 3.11Å; V1658-T1660 PolarHBondContact O-N 2.95Å; T1660-K1664 WeakPolarHBondContact O-CG 3.46Å; T1660-K1664 PolarHBondContact O-N 3.35Å; T1660-Y1679 HydrophobicContact CG2-CD1 4.12Å; T1660-Y1679 HydrophobicContact CG2-CE1 4.2Å; T1660-A1682 HydrophobicContact CG2-CB 4Å; T1660-A1700 HydrophobicContact CG2-CB 3.89Å |
| 1661 | L | 84.6 | Confident | 82.7 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 42% | 0.419 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70 | -42.5 | 173 | -73.3 | 173 | 0 | 0 | 0 | 111.6 | L1636 L1639 R1657 V1658 K1664 A1665 | L1636-L1661 HydrophobicContact CD2-CD1 4Å; L1639-L1661 HydrophobicContact CD1-CB 4.11Å; R1657-L1661 WeakPolarHBondContact O-CB 3.41Å; R1657-L1661 VanDerWaalsContact O-CG 3.32Å; R1657-L1661 WeakPolarHBondContact O-CG 3.35Å; R1657-L1661 PolarHBondContact O-N 3.3Å; V1658-L1661 PolarHBondContact O-N 3.3Å; L1661-K1664 PolarHBondContact O-N 2.93Å; L1661-A1665 WeakPolarHBondContact O-CB 3.33Å; L1661-A1665 PolarHBondContact O-N 3.4Å |
| 1662 | Y | 86 | Confident | 83 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 172.6 | -175.5 | -110.5 | 0 | 0 | 0 | 111 | L1639 L1646 L1650 V1658 K1664 A1665 M1666 A1678 | L1639-Y1662 HydrophobicContact CD2-CD2 4.27Å; L1646-Y1662 HydrophobicContact CD2-CD2 3.42Å; L1646-Y1662 VanDerWaalsContact CD2-CD2 3.42Å; L1646-Y1662 HydrophobicContact CD2-CE2 3.73Å; L1646-Y1662 HydrophobicContact CD2-CG 4.32Å; L1650-Y1662 HydrophobicContact CD1-CD1 4.13Å; L1650-Y1662 HydrophobicContact CD1-CD2 4.36Å; L1650-Y1662 HydrophobicContact CD1-CE1 3.7Å; L1650-Y1662 HydrophobicContact CD1-CE2 3.93Å; L1650-Y1662 HydrophobicContact CD1-CG 4.44Å; V1658-Y1662 WeakPolarHBondContact O-CB 3.1Å; V1658-Y1662 PolarHBondContact O-N 2.78Å; Y1662-K1664 VanDerWaalsContact C-N 3.32Å; Y1662-K1664 PolarHBondContact O-N 3.43Å; Y1662-A1665 CarbonylContact O-C 3.4Å; Y1662-A1665 WeakPolarHBondContact O-CB 3.44Å; Y1662-A1665 PolarHBondContact O-N 2.84Å; Y1662-A1665 VanDerWaalsContact O-N 3.11Å; Y1662-M1666 HydrophobicContact CD1-CG 4.32Å; Y1662-M1666 HydrophobicContact CD2-CE 4.13Å; Y1662-M1666 HydrophobicContact CE1-CE 4.3Å; Y1662-M1666 HydrophobicContact CE1-CG 4.04Å; Y1662-M1666 HydrophobicContact CE2-CE 3.24Å; Y1662-M1666 HydrophobicContact CE2-CG 4.26Å; Y1662-M1666 WeakPolarHBondContact O-CG 3.32Å; Y1662-M1666 PolarHBondContact O-N 3.48Å; Y1662-M1666 VanDerWaalsContact OH-CE 3.3Å; Y1662-M1666 WeakPolarHBondContact OH-CE 3Å; Y1662-A1678 HydrophobicContact CD1-CB 3.77Å; Y1662-A1678 HydrophobicContact CE1-CB 4.44Å |
| 1663 | G | 85.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1659 M1666 E1667 Y1679 | F1659-G1663 PolarHBondContact O-N 2.91Å; G1663-M1666 PolarHBondContact O-N 3.13Å; G1663-E1667 VanDerWaalsContact O-CB 3.26Å; G1663-E1667 WeakPolarHBondContact O-CB 3.43Å; G1663-E1667 PolarHBondContact O-N 3.41Å; G1663-Y1679 VanDerWaalsContact C-OH 3.25Å; G1663-Y1679 PolarHBondContact O-OH 3.41Å |
| 1664 | K | 85.4 | Confident | 83.5 | Confident | 105 Ų | 105 | 59.5 Ų | 59.5 | 46% | 0.457 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | 173.5 | -78 | 179.7 | -179.9 | 177.6 | 0 | 112.7 | T1660 L1661 Y1662 S1668 Y1679 | T1660-K1664 WeakPolarHBondContact O-CG 3.46Å; T1660-K1664 PolarHBondContact O-N 3.35Å; L1661-K1664 PolarHBondContact O-N 2.93Å; Y1662-K1664 VanDerWaalsContact C-N 3.32Å; Y1662-K1664 PolarHBondContact O-N 3.43Å; K1664-S1668 PolarHBondContact O-N 2.83Å; K1664-S1668 PolarHBondContact O-OG 3.49Å; K1664-Y1679 WeakPolarHBondContact CA-OH 3.29Å; K1664-Y1679 VanDerWaalsContact CG-OH 3.27Å; K1664-Y1679 WeakPolarHBondContact CG-OH 3.47Å; K1664-Y1679 PolarHBondContact N-OH 3.41Å; K1664-Y1679 VanDerWaalsContact N-OH 3.12Å |
| 1665 | A | 84.6 | Confident | 83.8 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1661 Y1662 S1668 S1669 | L1661-A1665 WeakPolarHBondContact O-CB 3.33Å; L1661-A1665 PolarHBondContact O-N 3.4Å; Y1662-A1665 CarbonylContact O-C 3.4Å; Y1662-A1665 WeakPolarHBondContact O-CB 3.44Å; Y1662-A1665 PolarHBondContact O-N 2.84Å; Y1662-A1665 VanDerWaalsContact O-N 3.11Å; A1665-S1668 PolarHBondContact O-OG 3.05Å; A1665-S1669 PolarHBondContact O-N 2.85Å; A1665-S1669 PolarHBondContact O-OG 3.29Å |
| 1666 | M | 86.7 | Confident | 84.1 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.6 | -37.9 | 175.4 | -67.5 | -55 | 169.7 | 0 | 0 | 112.6 | Y1662 G1663 S1668 S1669 K1670 D1671 A1674 A1675 | Y1662-M1666 HydrophobicContact CD1-CG 4.32Å; Y1662-M1666 HydrophobicContact CD2-CE 4.13Å; Y1662-M1666 HydrophobicContact CE1-CE 4.3Å; Y1662-M1666 HydrophobicContact CE1-CG 4.04Å; Y1662-M1666 HydrophobicContact CE2-CE 3.24Å; Y1662-M1666 HydrophobicContact CE2-CG 4.26Å; Y1662-M1666 WeakPolarHBondContact O-CG 3.32Å; Y1662-M1666 PolarHBondContact O-N 3.48Å; Y1662-M1666 VanDerWaalsContact OH-CE 3.3Å; Y1662-M1666 WeakPolarHBondContact OH-CE 3Å; G1663-M1666 PolarHBondContact O-N 3.13Å; M1666-S1668 VanDerWaalsContact C-N 3.26Å; M1666-S1668 PolarHBondContact O-N 3.32Å; M1666-S1669 WeakPolarHBondContact CA-OG 3.34Å; M1666-S1669 CarbonylContact O-C 3.59Å; M1666-S1669 PolarHBondContact O-N 2.81Å; M1666-S1669 VanDerWaalsContact O-N 3.14Å; M1666-S1669 PolarHBondContact O-OG 2.84Å; M1666-K1670 PolarHBondContact O-N 3.26Å; M1666-D1671 PolarHBondContact O-N 2.98Å; M1666-D1671 VanDerWaalsContact O-N 3.07Å; M1666-A1674 HydrophobicContact CB-CB 4.34Å; M1666-A1674 HydrophobicContact CG-CB 4.14Å; M1666-A1675 HydrophobicContact CB-CB 3.96Å |
| 1667 | E | 85 | Confident | 84.6 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 172.7 | -160.9 | -177.6 | -171.4 | 0 | 0 | 110.5 | G1663 K1670 F1672 A1675 Y1679 R1703 R1706 I1707 | G1663-E1667 VanDerWaalsContact O-CB 3.26Å; G1663-E1667 WeakPolarHBondContact O-CB 3.43Å; G1663-E1667 PolarHBondContact O-N 3.41Å; E1667-K1670 PolarHBondContact O-N 2.88Å; E1667-F1672 HydrophobicContact CG-CE1 4.42Å; E1667-A1675 HydrophobicContact CB-CB 4.19Å; E1667-Y1679 PolarHBondContact OE2-OH 3.36Å; E1667-R1703 IonicContact OE2-CZ 3.69Å; E1667-R1703 IonicContact OE2-NH1 3.67Å; E1667-R1703 PolarHBondContact OE2-NH1 3.34Å; E1667-R1706 IonicContact OE1-CZ 2.77Å; E1667-R1706 IonicContact OE1-NH2 3.37Å; E1667-R1706 PolarHBondContact OE1-NH2 3.36Å; E1667-I1707 HydrophobicContact CG-CD1 4.28Å |
| 1668 | S | 83.4 | Confident | 84.8 | Confident | 97 Ų | 97 | 50.6 Ų | 50.6 | 68% | 0.678 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -76.6 | -27.5 | 174.6 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | K1664 A1665 M1666 K1670 | K1664-S1668 PolarHBondContact O-N 2.83Å; K1664-S1668 PolarHBondContact O-OG 3.49Å; A1665-S1668 PolarHBondContact O-OG 3.05Å; M1666-S1668 VanDerWaalsContact C-N 3.26Å; M1666-S1668 PolarHBondContact O-N 3.32Å; S1668-K1670 VanDerWaalsContact C-N 3.27Å |
| 1669 | S | 83.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 50.7 Ų | 50.7 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4.1 | 170.7 | 31.4 | 0 | 0 | 0 | 0 | 114 | A1665 M1666 D1671 | A1665-S1669 PolarHBondContact O-N 2.85Å; A1665-S1669 PolarHBondContact O-OG 3.29Å; M1666-S1669 WeakPolarHBondContact CA-OG 3.34Å; M1666-S1669 CarbonylContact O-C 3.59Å; M1666-S1669 PolarHBondContact O-N 2.81Å; M1666-S1669 VanDerWaalsContact O-N 3.14Å; M1666-S1669 PolarHBondContact O-OG 2.84Å; S1669-D1671 PolarHBondContact O-N 2.59Å |
| 1670 | K | 82.9 | Confident | 84.7 | Confident | 162 Ų | 162 | 54.6 Ų | 54.6 | 70% | 0.704 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 15.8 | 178.1 | -55.9 | -179.6 | 179.1 | 177.7 | 0 | 115.2 | M1666 E1667 S1668 F1672 | M1666-K1670 PolarHBondContact O-N 3.26Å; E1667-K1670 PolarHBondContact O-N 2.88Å; S1668-K1670 VanDerWaalsContact C-N 3.27Å; K1670-F1672 VanDerWaalsContact C-N 3.34Å; K1670-F1672 HydrophobicContact CB-CE2 4.29Å; K1670-F1672 HydrophobicContact CB-CZ 4.45Å; K1670-F1672 WeakPolarHBondContact O-CD2 3.47Å; K1670-F1672 PolarHBondContact O-N 3.29Å; K1670-F1672 VanDerWaalsContact O-N 3.14Å |
| 1671 | D | 84.8 | Confident | 84.7 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | trans | -85.5 | 80.9 | 169.5 | -166.8 | -21.1 | 0 | 0 | 0 | 109.2 | M1666 S1669 E1673 A1674 A1675 | M1666-D1671 PolarHBondContact O-N 2.98Å; M1666-D1671 VanDerWaalsContact O-N 3.07Å; S1669-D1671 PolarHBondContact O-N 2.59Å; D1671-E1673 VanDerWaalsContact C-N 3.27Å; D1671-E1673 PolarHBondContact O-N 3.47Å; D1671-A1674 HydrophobicContact CB-CB 4.14Å; D1671-A1674 VanDerWaalsContact CG-CB 3.45Å; D1671-A1674 PolarHBondContact O-N 3.43Å; D1671-A1674 WeakPolarHBondContact OD1-CB 3.49Å; D1671-A1674 PolarHBondContact OD1-N 3.49Å; D1671-A1674 VanDerWaalsContact OD1-N 3.07Å; D1671-A1675 VanDerWaalsContact O-CB 3.3Å; D1671-A1675 WeakPolarHBondContact O-CB 3.4Å; D1671-A1675 PolarHBondContact O-N 2.86Å | ||
| 1672 | F | 86.7 | Confident | 84.4 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 31% | 0.311 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.9 | -26 | -174.5 | -62.9 | -65.7 | 0 | 0 | 0 | 113 | E1667 K1670 A1676 I1707 P1711 L1712 | E1667-F1672 HydrophobicContact CG-CE1 4.42Å; K1670-F1672 VanDerWaalsContact C-N 3.34Å; K1670-F1672 HydrophobicContact CB-CE2 4.29Å; K1670-F1672 HydrophobicContact CB-CZ 4.45Å; K1670-F1672 WeakPolarHBondContact O-CD2 3.47Å; K1670-F1672 PolarHBondContact O-N 3.29Å; K1670-F1672 VanDerWaalsContact O-N 3.14Å; F1672-A1676 VanDerWaalsContact O-CB 3.26Å; F1672-A1676 WeakPolarHBondContact O-CB 3.21Å; F1672-A1676 PolarHBondContact O-N 3.28Å; F1672-I1707 HydrophobicContact CB-CG2 4.16Å; F1672-P1711 HydrophobicContact CD1-CG 4.1Å; F1672-P1711 HydrophobicContact CD2-CB 4.13Å; F1672-P1711 HydrophobicContact CE1-CG 4.42Å; F1672-P1711 HydrophobicContact CE2-CB 4.38Å; F1672-P1711 HydrophobicContact CG-CB 4.2Å; F1672-P1711 HydrophobicContact CG-CG 4.18Å; F1672-L1712 HydrophobicContact CB-CD2 4.41Å |
| 1673 | E | 85.3 | Confident | 83.8 | Confident | 115 Ų | 115 | 54.9 Ų | 54.9 | 54% | 0.537 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.3 | -48.8 | 174.7 | -82.5 | -171.2 | 150.8 | 0 | 0 | 111.3 | D1671 A1675 A1676 Q1677 L1712 | D1671-E1673 VanDerWaalsContact C-N 3.27Å; D1671-E1673 PolarHBondContact O-N 3.47Å; E1673-A1675 VanDerWaalsContact C-N 3.28Å; E1673-A1675 PolarHBondContact O-N 3.47Å; E1673-A1676 PolarHBondContact O-N 2.9Å; E1673-Q1677 WeakPolarHBondContact O-CG 3.28Å; E1673-Q1677 PolarHBondContact O-N 3.43Å; E1673-L1712 HydrophobicContact CG-CD2 3.85Å |
| 1674 | A | 83.8 | Confident | 83.3 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1666 D1671 Q1677 A1678 | M1666-A1674 HydrophobicContact CB-CB 4.34Å; M1666-A1674 HydrophobicContact CG-CB 4.14Å; D1671-A1674 HydrophobicContact CB-CB 4.14Å; D1671-A1674 VanDerWaalsContact CG-CB 3.45Å; D1671-A1674 PolarHBondContact O-N 3.43Å; D1671-A1674 WeakPolarHBondContact OD1-CB 3.49Å; D1671-A1674 PolarHBondContact OD1-N 3.49Å; D1671-A1674 VanDerWaalsContact OD1-N 3.07Å; A1674-Q1677 PolarHBondContact O-N 2.9Å; A1674-A1678 VanDerWaalsContact O-CB 3.25Å; A1674-A1678 WeakPolarHBondContact O-CB 3.46Å; A1674-A1678 PolarHBondContact O-N 3.45Å |
| 1675 | A | 86 | Confident | 82.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | M1666 E1667 D1671 E1673 A1678 Y1679 I1707 | M1666-A1675 HydrophobicContact CB-CB 3.96Å; E1667-A1675 HydrophobicContact CB-CB 4.19Å; D1671-A1675 VanDerWaalsContact O-CB 3.3Å; D1671-A1675 WeakPolarHBondContact O-CB 3.4Å; D1671-A1675 PolarHBondContact O-N 2.86Å; E1673-A1675 VanDerWaalsContact C-N 3.28Å; E1673-A1675 PolarHBondContact O-N 3.47Å; A1675-A1678 PolarHBondContact O-N 3.3Å; A1675-Y1679 HydrophobicContact CB-CE2 4.39Å; A1675-Y1679 WeakPolarHBondContact O-CD2 3.23Å; A1675-Y1679 PolarHBondContact O-N 3.34Å; A1675-I1707 HydrophobicContact CB-CD1 4.24Å |
| 1676 | A | 84.7 | Confident | 81.9 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1672 E1673 A1678 Y1679 Q1680 F1704 I1707 L1712 | F1672-A1676 VanDerWaalsContact O-CB 3.26Å; F1672-A1676 WeakPolarHBondContact O-CB 3.21Å; F1672-A1676 PolarHBondContact O-N 3.28Å; E1673-A1676 PolarHBondContact O-N 2.9Å; A1676-A1678 VanDerWaalsContact C-N 3.32Å; A1676-A1678 PolarHBondContact O-N 2.91Å; A1676-Y1679 PolarHBondContact O-N 3.41Å; A1676-Q1680 WeakPolarHBondContact O-CB 3.31Å; A1676-Q1680 PolarHBondContact O-N 3.01Å; A1676-F1704 HydrophobicContact CB-CD2 4.29Å; A1676-F1704 HydrophobicContact CB-CE2 4.25Å; A1676-F1704 WeakPolarHBondContact O-CD2 3.27Å; A1676-I1707 HydrophobicContact CB-CG2 4.08Å; A1676-L1712 HydrophobicContact CB-CD1 3.82Å |
| 1677 | Q | 85.3 | Confident | 80.8 | Confident | 122 Ų | 122 | 60.9 Ų | 60.9 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.6 | -38.7 | 175.7 | -71.6 | -178.9 | 10.4 | 0 | 0 | 112.2 | E1673 A1674 Q1680 K1681 | E1673-Q1677 WeakPolarHBondContact O-CG 3.28Å; E1673-Q1677 PolarHBondContact O-N 3.43Å; A1674-Q1677 PolarHBondContact O-N 2.9Å; Q1677-Q1680 PolarHBondContact O-N 3.02Å; Q1677-K1681 WeakPolarHBondContact O-CB 3.4Å; Q1677-K1681 WeakPolarHBondContact O-CG 3.42Å; Q1677-K1681 PolarHBondContact O-N 2.81Å |
| 1678 | A | 84.2 | Confident | 79.7 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.033 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1662 A1674 A1675 A1676 K1681 A1682 | Y1662-A1678 HydrophobicContact CD1-CB 3.77Å; Y1662-A1678 HydrophobicContact CE1-CB 4.44Å; A1674-A1678 VanDerWaalsContact O-CB 3.25Å; A1674-A1678 WeakPolarHBondContact O-CB 3.46Å; A1674-A1678 PolarHBondContact O-N 3.45Å; A1675-A1678 PolarHBondContact O-N 3.3Å; A1676-A1678 VanDerWaalsContact C-N 3.32Å; A1676-A1678 PolarHBondContact O-N 2.91Å; A1678-K1681 PolarHBondContact O-N 2.79Å; A1678-A1682 WeakPolarHBondContact O-CB 3.26Å; A1678-A1682 PolarHBondContact O-N 2.96Å |
| 1679 | Y | 85.6 | Confident | 78.3 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.1 | -34.3 | 175.8 | -68.4 | -50.1 | 0 | 0 | 0 | 112.7 | T1660 G1663 K1664 E1667 A1675 A1676 A1682 N1683 R1703 I1707 | T1660-Y1679 HydrophobicContact CG2-CD1 4.12Å; T1660-Y1679 HydrophobicContact CG2-CE1 4.2Å; G1663-Y1679 VanDerWaalsContact C-OH 3.25Å; G1663-Y1679 PolarHBondContact O-OH 3.41Å; K1664-Y1679 WeakPolarHBondContact CA-OH 3.29Å; K1664-Y1679 VanDerWaalsContact CG-OH 3.27Å; K1664-Y1679 WeakPolarHBondContact CG-OH 3.47Å; K1664-Y1679 PolarHBondContact N-OH 3.41Å; K1664-Y1679 VanDerWaalsContact N-OH 3.12Å; E1667-Y1679 PolarHBondContact OE2-OH 3.36Å; A1675-Y1679 HydrophobicContact CB-CE2 4.39Å; A1675-Y1679 WeakPolarHBondContact O-CD2 3.23Å; A1675-Y1679 PolarHBondContact O-N 3.34Å; A1676-Y1679 PolarHBondContact O-N 3.41Å; Y1679-A1682 PolarHBondContact O-N 2.84Å; Y1679-N1683 WeakPolarHBondContact O-CB 3.44Å; Y1679-N1683 PolarHBondContact O-N 2.66Å; Y1679-R1703 HydrophobicContact CD2-CB 4.26Å; Y1679-R1703 HydrophobicContact CE2-CB 4.1Å; Y1679-I1707 HydrophobicContact CD2-CD1 3.76Å; Y1679-I1707 HydrophobicContact CE2-CD1 3.66Å |
| 1680 | Q | 82.6 | Confident | 76.9 | Confident | 90 Ų | 90 | 68 Ų | 68 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -49.3 | 172.7 | -173.5 | 179.4 | -1.5 | 0 | 0 | 111.1 | A1676 Q1677 A1682 N1683 D1684 F1704 | A1676-Q1680 WeakPolarHBondContact O-CB 3.31Å; A1676-Q1680 PolarHBondContact O-N 3.01Å; Q1677-Q1680 PolarHBondContact O-N 3.02Å; Q1680-A1682 VanDerWaalsContact C-N 3.31Å; Q1680-A1682 PolarHBondContact O-N 2.91Å; Q1680-N1683 CarbonylContact O-C 3.55Å; Q1680-N1683 WeakPolarHBondContact O-CA 3.26Å; Q1680-N1683 WeakPolarHBondContact O-CB 3.33Å; Q1680-N1683 PolarHBondContact O-N 3.35Å; Q1680-D1684 PolarHBondContact O-N 3.29Å; Q1680-F1704 HydrophobicContact CB-CD2 4.22Å; Q1680-F1704 HydrophobicContact CB-CE2 3.74Å; Q1680-F1704 HydrophobicContact CB-CZ 4.13Å; Q1680-F1704 HydrophobicContact CG-CE2 4.34Å; Q1680-F1704 HydrophobicContact CG-CZ 4.23Å |
| 1681 | K | 81.6 | Confident | 75.5 | Confident | 104 Ų | 104 | 67.8 Ų | 67.8 | 45% | 0.452 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 174.8 | -79.4 | -172.6 | 176.7 | -176.4 | 0 | 112.1 | F1659 Q1677 A1678 N1683 D1684 I1685 | F1659-K1681 HydrophobicContact CD1-CB 4.04Å; F1659-K1681 HydrophobicContact CD1-CD 4.36Å; F1659-K1681 HydrophobicContact CE1-CB 4.28Å; F1659-K1681 HydrophobicContact CE1-CD 3.9Å; F1659-K1681 HydrophobicContact CG-CB 4.41Å; Q1677-K1681 WeakPolarHBondContact O-CB 3.4Å; Q1677-K1681 WeakPolarHBondContact O-CG 3.42Å; Q1677-K1681 PolarHBondContact O-N 2.81Å; A1678-K1681 PolarHBondContact O-N 2.79Å; K1681-N1683 PolarHBondContact O-N 3.11Å; K1681-D1684 PolarHBondContact O-N 3.11Å; K1681-I1685 WeakPolarHBondContact O-CB 3.27Å; K1681-I1685 WeakPolarHBondContact O-CD1 3.23Å; K1681-I1685 WeakPolarHBondContact O-CG1 3.41Å; K1681-I1685 PolarHBondContact O-N 3.41Å |
| 1682 | A | 78.5 | Confident | 74 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.1 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | F1659 T1660 A1678 Y1679 Q1680 F1686 | F1659-A1682 HydrophobicContact CB-CB 3.81Å; T1660-A1682 HydrophobicContact CG2-CB 4Å; A1678-A1682 WeakPolarHBondContact O-CB 3.26Å; A1678-A1682 PolarHBondContact O-N 2.96Å; Y1679-A1682 PolarHBondContact O-N 2.84Å; Q1680-A1682 VanDerWaalsContact C-N 3.31Å; Q1680-A1682 PolarHBondContact O-N 2.91Å; A1682-F1686 VanDerWaalsContact O-CB 3.3Å; A1682-F1686 WeakPolarHBondContact O-CB 3.44Å; A1682-F1686 WeakPolarHBondContact O-CD2 3.23Å; A1682-F1686 PolarHBondContact O-N 3.46Å |
| 1683 | N | 74.7 | Confident | 72.6 | Confident | 27 Ų | 27 | 68 Ų | 68 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.6 | -41 | 178.2 | -162.2 | 37.5 | 0 | 0 | 0 | 112.7 | Y1679 Q1680 K1681 F1686 R1687 L1697 M1701 | Y1679-N1683 WeakPolarHBondContact O-CB 3.44Å; Y1679-N1683 PolarHBondContact O-N 2.66Å; Q1680-N1683 CarbonylContact O-C 3.55Å; Q1680-N1683 WeakPolarHBondContact O-CA 3.26Å; Q1680-N1683 WeakPolarHBondContact O-CB 3.33Å; Q1680-N1683 PolarHBondContact O-N 3.35Å; K1681-N1683 PolarHBondContact O-N 3.11Å; N1683-F1686 CarbonylContact O-C 3.49Å; N1683-F1686 PolarHBondContact O-N 3.36Å; N1683-R1687 PolarHBondContact O-N 3.03Å; N1683-L1697 WeakPolarHBondContact OD1-CD2 3.43Å; N1683-M1701 PolarHBondContact ND2-SD 3.29Å |
| 1684 | D | 75.1 | Confident | 71.3 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 176.8 | -76.6 | -25 | 0 | 0 | 0 | 111.5 | Q1680 K1681 F1686 R1687 Y1688 | Q1680-D1684 PolarHBondContact O-N 3.29Å; K1681-D1684 PolarHBondContact O-N 3.11Å; D1684-F1686 VanDerWaalsContact C-N 3.34Å; D1684-R1687 WeakPolarHBondContact O-CB 3.47Å; D1684-R1687 PolarHBondContact O-N 3.44Å; D1684-Y1688 WeakPolarHBondContact O-CD2 3.28Å; D1684-Y1688 WeakPolarHBondContact O-CE2 3.38Å |
| 1685 | I | 69.5 | Low | 70.4 | Confident | 53 Ų | 53 | 70.8 Ų | 70.8 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 174.3 | -64.9 | 164.8 | 0 | 0 | 0 | 110.1 | S1654 P1656 F1659 K1681 R1687 Y1688 | S1654-I1685 WeakPolarHBondContact O-CG2 3.28Å; P1656-I1685 HydrophobicContact CB-CB 4.24Å; P1656-I1685 HydrophobicContact CB-CG2 3.95Å; P1656-I1685 HydrophobicContact CG-CG2 4.01Å; F1659-I1685 HydrophobicContact CD2-CD1 3.42Å; F1659-I1685 VanDerWaalsContact CD2-CD1 3.42Å; F1659-I1685 HydrophobicContact CE2-CD1 3.28Å; F1659-I1685 HydrophobicContact CG-CD1 4.38Å; F1659-I1685 HydrophobicContact CZ-CD1 4.16Å; K1681-I1685 WeakPolarHBondContact O-CB 3.27Å; K1681-I1685 WeakPolarHBondContact O-CD1 3.23Å; K1681-I1685 WeakPolarHBondContact O-CG1 3.41Å; K1681-I1685 PolarHBondContact O-N 3.41Å; I1685-R1687 VanDerWaalsContact C-N 3.27Å; I1685-R1687 PolarHBondContact O-N 3.23Å; I1685-Y1688 PolarHBondContact O-N 3Å |
| 1686 | F | 69.3 | Low | 69.3 | Low | 9 Ų | 9 | 73.5 Ų | 73.5 | 4% | 0.039 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.7 | -24.9 | 177.8 | -94.4 | -52.4 | 0 | 0 | 0 | 114 | P1656 A1682 N1683 D1684 Y1688 A1689 C1693 C1696 L1697 | P1656-F1686 HydrophobicContact CB-CD2 3.76Å; P1656-F1686 HydrophobicContact CB-CE1 4.28Å; P1656-F1686 HydrophobicContact CB-CE2 3.53Å; P1656-F1686 HydrophobicContact CB-CG 4.26Å; P1656-F1686 HydrophobicContact CB-CZ 3.8Å; P1656-F1686 HydrophobicContact CG-CD1 4.14Å; P1656-F1686 HydrophobicContact CG-CD2 4.19Å; P1656-F1686 HydrophobicContact CG-CE1 3.65Å; P1656-F1686 HydrophobicContact CG-CE2 3.81Å; P1656-F1686 HydrophobicContact CG-CG 4.33Å; P1656-F1686 HydrophobicContact CG-CZ 3.5Å; A1682-F1686 VanDerWaalsContact O-CB 3.3Å; A1682-F1686 WeakPolarHBondContact O-CB 3.44Å; A1682-F1686 WeakPolarHBondContact O-CD2 3.23Å; A1682-F1686 PolarHBondContact O-N 3.46Å; N1683-F1686 CarbonylContact O-C 3.49Å; N1683-F1686 PolarHBondContact O-N 3.36Å; D1684-F1686 VanDerWaalsContact C-N 3.34Å; F1686-Y1688 PolarHBondContact O-N 2.98Å; F1686-A1689 HydrophobicContact CD1-CB 3.93Å; F1686-A1689 PolarHBondContact O-N 2.95Å; F1686-C1693 HydrophobicContact CD1-CB 3.68Å; F1686-C1693 HydrophobicContact CE1-CB 3.17Å; F1686-C1693 WeakPolarHBondContact CE1-SG 3.47Å; F1686-C1693 HydrophobicContact CZ-CB 3.96Å; F1686-C1696 HydrophobicContact CE2-CB 4.18Å; F1686-C1696 HydrophobicContact CZ-CB 3.98Å; F1686-L1697 HydrophobicContact CB-CD1 3.72Å; F1686-L1697 HydrophobicContact CB-CD2 3.75Å; F1686-L1697 HydrophobicContact CB-CG 3.49Å; F1686-L1697 VanDerWaalsContact CB-CG 3.49Å; F1686-L1697 HydrophobicContact CD1-CD1 3.96Å; F1686-L1697 HydrophobicContact CD1-CG 4.16Å; F1686-L1697 HydrophobicContact CD2-CG 4.19Å; F1686-L1697 HydrophobicContact CG-CD1 3.95Å; F1686-L1697 HydrophobicContact CG-CD2 4.45Å; F1686-L1697 HydrophobicContact CG-CG 3.7Å |
| 1687 | R | 63.8 | Low | 68.3 | Low | 138 Ų | 138 | 74.6 Ų | 74.6 | 52% | 0.521 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.4 | 179 | -150.2 | 177.7 | -171.8 | 170.4 | 6.3 | 112.7 | N1683 D1684 I1685 E1724 | N1683-R1687 PolarHBondContact O-N 3.03Å; D1684-R1687 WeakPolarHBondContact O-CB 3.47Å; D1684-R1687 PolarHBondContact O-N 3.44Å; I1685-R1687 VanDerWaalsContact C-N 3.27Å; I1685-R1687 PolarHBondContact O-N 3.23Å; R1687-E1724 IonicContact CZ-OE2 3.71Å; R1687-E1724 VanDerWaalsContact CZ-OE2 3.23Å; R1687-E1724 IonicContact NH1-OE2 3.25Å; R1687-E1724 PolarHBondContact NH1-OE2 3.47Å; R1687-E1724 IonicContact NH2-OE2 3.5Å; R1687-E1724 PolarHBondContact NH2-OE2 2.9Å |
| 1688 | Y | 62.6 | Low | 67.6 | Low | 206 Ų | 206 | 71.8 Ų | 71.8 | 81% | 0.808 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -3 | 178 | -54.1 | -78.2 | 0 | 0 | 0 | 113.9 | D1684 I1685 F1686 | D1684-Y1688 WeakPolarHBondContact O-CD2 3.28Å; D1684-Y1688 WeakPolarHBondContact O-CE2 3.38Å; I1685-Y1688 PolarHBondContact O-N 3Å; F1686-Y1688 PolarHBondContact O-N 2.98Å |
| 1689 | A | 54.4 | Low | 67.1 | Low | 48 Ų | 48 | 75.9 Ų | 75.9 | 40% | 0.397 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -89.2 | 140.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1686 | F1686-A1689 HydrophobicContact CD1-CB 3.93Å; F1686-A1689 PolarHBondContact O-N 2.95Å |
| 1690 | S | 54 | Low | 66.6 | Low | 97 Ų | 97 | 76 Ų | 76 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | trans | -61.5 | 163.8 | -177.3 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | P1692 | S1690-P1692 WeakPolarHBondContact O-CD 3.18Š| ||
| 1691 | L | 53.8 | Low | 66.3 | Low | 156 Ų | 156 | 72 Ų | 72 | 82% | 0.817 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -44 | -25 | -166.2 | -91.5 | 86 | 0 | 0 | 0 | 120.4 | C1693 | L1691-C1693 VanDerWaalsContact C-N 3.29Å; L1691-C1693 PolarHBondContact O-N 2.98Å |
| 1692 | P | 52.7 | Low | 66.2 | Low | 113 Ų | 113 | 72 Ų | 72 | 73% | 0.734 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -70.9 | -15.3 | -173.7 | -21.3 | 33.6 | 0 | 0 | 0 | 115.8 | S1690 | S1690-P1692 WeakPolarHBondContact O-CD 3.18Š|
| 1693 | C | 57.1 | Low | 66.4 | Low | 42 Ų | 42 | 75.4 Ų | 75.4 | 28% | 0.284 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -95.7 | 11.2 | -169.7 | -88.7 | 0 | 0 | 0 | 0 | 116.3 | F1686 L1691 V1695 C1696 L1697 | F1686-C1693 HydrophobicContact CD1-CB 3.68Å; F1686-C1693 HydrophobicContact CE1-CB 3.17Å; F1686-C1693 WeakPolarHBondContact CE1-SG 3.47Å; F1686-C1693 HydrophobicContact CZ-CB 3.96Å; L1691-C1693 VanDerWaalsContact C-N 3.29Å; L1691-C1693 PolarHBondContact O-N 2.98Å; C1693-V1695 VanDerWaalsContact C-N 3.27Å; C1693-V1695 PolarHBondContact O-N 3.48Å; C1693-V1695 VanDerWaalsContact O-N 3.15Å; C1693-C1696 PolarHBondContact O-N 3.22Å; C1693-L1697 WeakPolarHBondContact O-CB 3.36Å; C1693-L1697 PolarHBondContact O-N 3.25Å |
| 1694 | L | 57.7 | Low | 66.8 | Low | 91 Ų | 91 | 74.8 Ų | 74.8 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -51 | -42.9 | -179.2 | -86.1 | 154 | 0 | 0 | 0 | 112.7 | C1696 L1697 Y1698 | L1694-C1696 PolarHBondContact O-N 3.03Å; L1694-L1697 WeakPolarHBondContact O-CB 3.43Å; L1694-L1697 PolarHBondContact O-N 2.95Å; L1694-Y1698 HydrophobicContact CB-CD2 4.37Å; L1694-Y1698 HydrophobicContact CB-CE2 4.29Å; L1694-Y1698 HydrophobicContact CD2-CD2 4.44Å; L1694-Y1698 HydrophobicContact CD2-CE2 3.75Å; L1694-Y1698 WeakPolarHBondContact O-CB 3.38Å; L1694-Y1698 WeakPolarHBondContact O-CD2 3.29Å; L1694-Y1698 PolarHBondContact O-N 3.43Å |
| 1695 | V | 65.5 | Low | 67.1 | Low | 103 Ų | 103 | 71.3 Ų | 71.3 | 62% | 0.624 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.6 | -33.8 | -180 | -177.2 | 0 | 0 | 0 | 0 | 113 | C1693 N1699 | C1693-V1695 VanDerWaalsContact C-N 3.27Å; C1693-V1695 PolarHBondContact O-N 3.48Å; C1693-V1695 VanDerWaalsContact O-N 3.15Å; V1695-N1699 WeakPolarHBondContact O-CB 3.37Å; V1695-N1699 PolarHBondContact O-N 3.04Å; V1695-N1699 VanDerWaalsContact O-N 3.11Å; V1695-N1699 PolarHBondContact O-ND2 3.04Å; V1695-N1699 VanDerWaalsContact O-ND2 3.14Å |
| 1696 | C | 62.1 | Low | 67.7 | Low | 57 Ų | 57 | 74.6 Ų | 74.6 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.8 | -38.1 | 176.3 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | F1686 C1693 L1694 N1699 A1700 | F1686-C1696 HydrophobicContact CE2-CB 4.18Å; F1686-C1696 HydrophobicContact CZ-CB 3.98Å; C1693-C1696 PolarHBondContact O-N 3.22Å; L1694-C1696 PolarHBondContact O-N 3.03Å; C1696-N1699 PolarHBondContact O-N 3.37Å; C1696-A1700 VanDerWaalsContact O-CB 3.32Å; C1696-A1700 WeakPolarHBondContact O-CB 3.44Å; C1696-A1700 PolarHBondContact O-N 2.82Å |
| 1697 | L | 64.5 | Low | 68.4 | Low | 30 Ų | 30 | 74.3 Ų | 74.3 | 16% | 0.157 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 171.1 | -107.4 | 146.9 | 0 | 0 | 0 | 111.5 | N1683 F1686 C1693 L1694 N1699 A1700 M1701 | N1683-L1697 WeakPolarHBondContact OD1-CD2 3.43Å; F1686-L1697 HydrophobicContact CB-CD1 3.72Å; F1686-L1697 HydrophobicContact CB-CD2 3.75Å; F1686-L1697 HydrophobicContact CB-CG 3.49Å; F1686-L1697 VanDerWaalsContact CB-CG 3.49Å; F1686-L1697 HydrophobicContact CD1-CD1 3.96Å; F1686-L1697 HydrophobicContact CD1-CG 4.16Å; F1686-L1697 HydrophobicContact CD2-CG 4.19Å; F1686-L1697 HydrophobicContact CG-CD1 3.95Å; F1686-L1697 HydrophobicContact CG-CD2 4.45Å; F1686-L1697 HydrophobicContact CG-CG 3.7Å; C1693-L1697 WeakPolarHBondContact O-CB 3.36Å; C1693-L1697 PolarHBondContact O-N 3.25Å; L1694-L1697 WeakPolarHBondContact O-CB 3.43Å; L1694-L1697 PolarHBondContact O-N 2.95Å; L1697-N1699 VanDerWaalsContact C-N 3.33Å; L1697-N1699 PolarHBondContact O-N 3.24Å; L1697-A1700 PolarHBondContact O-N 3.24Å; L1697-M1701 VanDerWaalsContact O-CB 3.29Å; L1697-M1701 WeakPolarHBondContact O-CB 3.41Å; L1697-M1701 PolarHBondContact O-N 2.91Å |
| 1698 | Y | 69.7 | Low | 69.2 | Low | 64 Ų | 64 | 67.8 Ų | 67.8 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 177.7 | -81.1 | -66.9 | 0 | 0 | 0 | 111.3 | L1694 Y1702 C1727 P1728 E1729 | L1694-Y1698 HydrophobicContact CB-CD2 4.37Å; L1694-Y1698 HydrophobicContact CB-CE2 4.29Å; L1694-Y1698 HydrophobicContact CD2-CD2 4.44Å; L1694-Y1698 HydrophobicContact CD2-CE2 3.75Å; L1694-Y1698 WeakPolarHBondContact O-CB 3.38Å; L1694-Y1698 WeakPolarHBondContact O-CD2 3.29Å; L1694-Y1698 PolarHBondContact O-N 3.43Å; Y1698-Y1702 WeakPolarHBondContact O-CB 3.29Å; Y1698-Y1702 PolarHBondContact O-N 2.76Å; Y1698-C1727 HydrophobicContact CD1-CB 4.28Å; Y1698-C1727 HydrophobicContact CE1-CB 3.74Å; Y1698-C1727 VanDerWaalsContact CE1-SG 3.56Å; Y1698-P1728 WeakPolarHBondContact OH-CD 3.48Å; Y1698-E1729 HydrophobicContact CD1-CB 4.36Å; Y1698-E1729 WeakPolarHBondContact CD1-OE2 3.42Å; Y1698-E1729 WeakPolarHBondContact CE1-OE2 3.27Å |
| 1699 | N | 74.1 | Confident | 70.1 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 178.2 | -89.1 | -55.5 | 0 | 0 | 0 | 113.8 | V1695 C1696 L1697 R1703 | V1695-N1699 WeakPolarHBondContact O-CB 3.37Å; V1695-N1699 PolarHBondContact O-N 3.04Å; V1695-N1699 VanDerWaalsContact O-N 3.11Å; V1695-N1699 PolarHBondContact O-ND2 3.04Å; V1695-N1699 VanDerWaalsContact O-ND2 3.14Å; C1696-N1699 PolarHBondContact O-N 3.37Å; L1697-N1699 VanDerWaalsContact C-N 3.33Å; L1697-N1699 PolarHBondContact O-N 3.24Å; N1699-R1703 WeakPolarHBondContact O-CB 3.42Å; N1699-R1703 WeakPolarHBondContact O-CG 3.32Å; N1699-R1703 PolarHBondContact O-N 3.29Å |
| 1700 | A | 74.9 | Confident | 71.3 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T1660 C1696 L1697 R1703 F1704 | T1660-A1700 HydrophobicContact CG2-CB 3.89Å; C1696-A1700 VanDerWaalsContact O-CB 3.32Å; C1696-A1700 WeakPolarHBondContact O-CB 3.44Å; C1696-A1700 PolarHBondContact O-N 2.82Å; L1697-A1700 PolarHBondContact O-N 3.24Å; A1700-R1703 PolarHBondContact O-N 3.37Å; A1700-F1704 WeakPolarHBondContact O-CB 3.26Å; A1700-F1704 PolarHBondContact O-N 3.12Å |
| 1701 | M | 76.6 | Confident | 72.4 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 178.1 | -171.6 | 129.9 | 54.5 | 0 | 0 | 112.4 | N1683 L1697 R1703 F1704 L1705 S1725 C1727 | N1683-M1701 PolarHBondContact ND2-SD 3.29Å; L1697-M1701 VanDerWaalsContact O-CB 3.29Å; L1697-M1701 WeakPolarHBondContact O-CB 3.41Å; L1697-M1701 PolarHBondContact O-N 2.91Å; M1701-R1703 PolarHBondContact O-N 3.34Å; M1701-F1704 PolarHBondContact O-N 3.48Å; M1701-L1705 HydrophobicContact CG-CD1 4.06Å; M1701-L1705 WeakPolarHBondContact O-CB 3.16Å; M1701-L1705 WeakPolarHBondContact O-CG 3.17Å; M1701-L1705 PolarHBondContact O-N 3.27Å; M1701-S1725 WeakPolarHBondContact SD-CB 3.46Å; M1701-C1727 HydrophobicContact CE-CB 4.27Å; M1701-C1727 WeakPolarHBondContact CE-SG 3.49Å |
| 1702 | Y | 79 | Confident | 73.6 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 171.2 | 179 | -83.2 | 0 | 0 | 0 | 111.2 | Y1698 L1705 R1706 L1733 | Y1698-Y1702 WeakPolarHBondContact O-CB 3.29Å; Y1698-Y1702 PolarHBondContact O-N 2.76Å; Y1702-L1705 PolarHBondContact O-N 3.47Å; Y1702-R1706 VanDerWaalsContact O-CB 3.27Å; Y1702-R1706 WeakPolarHBondContact O-CB 3.36Å; Y1702-R1706 PolarHBondContact O-N 3.32Å; Y1702-L1733 HydrophobicContact CD2-CD1 3.76Å; Y1702-L1733 HydrophobicContact CE1-CD1 4.48Å; Y1702-L1733 HydrophobicContact CE2-CD1 3.08Å; Y1702-L1733 HydrophobicContact CE2-CG 4.45Å; Y1702-L1733 VanDerWaalsContact CZ-CD1 3.48Å |
| 1703 | R | 82.4 | Confident | 74.9 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 27% | 0.268 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 176.3 | -75.9 | -175.7 | -178.3 | -129.4 | -0.5 | 112.3 | E1667 Y1679 N1699 A1700 M1701 R1706 I1707 | E1667-R1703 IonicContact OE2-CZ 3.69Å; E1667-R1703 IonicContact OE2-NH1 3.67Å; E1667-R1703 PolarHBondContact OE2-NH1 3.34Å; Y1679-R1703 HydrophobicContact CD2-CB 4.26Å; Y1679-R1703 HydrophobicContact CE2-CB 4.1Å; N1699-R1703 WeakPolarHBondContact O-CB 3.42Å; N1699-R1703 WeakPolarHBondContact O-CG 3.32Å; N1699-R1703 PolarHBondContact O-N 3.29Å; A1700-R1703 PolarHBondContact O-N 3.37Å; M1701-R1703 PolarHBondContact O-N 3.34Å; R1703-R1706 PolarHBondContact O-N 3.35Å; R1703-I1707 WeakPolarHBondContact O-CB 3.24Å; R1703-I1707 VanDerWaalsContact O-CG1 3.26Å; R1703-I1707 WeakPolarHBondContact O-CG1 3.36Å; R1703-I1707 PolarHBondContact O-N 3.22Å |
| 1704 | F | 83.3 | Confident | 76 | Confident | 14 Ų | 14 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.8 | -50.5 | 174 | 178.6 | -113.3 | 0 | 0 | 0 | 111.1 | A1676 Q1680 A1700 M1701 R1706 I1707 L1708 A1721 | A1676-F1704 HydrophobicContact CB-CD2 4.29Å; A1676-F1704 HydrophobicContact CB-CE2 4.25Å; A1676-F1704 WeakPolarHBondContact O-CD2 3.27Å; Q1680-F1704 HydrophobicContact CB-CD2 4.22Å; Q1680-F1704 HydrophobicContact CB-CE2 3.74Å; Q1680-F1704 HydrophobicContact CB-CZ 4.13Å; Q1680-F1704 HydrophobicContact CG-CE2 4.34Å; Q1680-F1704 HydrophobicContact CG-CZ 4.23Å; A1700-F1704 WeakPolarHBondContact O-CB 3.26Å; A1700-F1704 PolarHBondContact O-N 3.12Å; M1701-F1704 PolarHBondContact O-N 3.48Å; F1704-R1706 PolarHBondContact O-N 2.74Å; F1704-I1707 PolarHBondContact O-N 3.29Å; F1704-L1708 HydrophobicContact CD1-CD1 3.76Å; F1704-L1708 HydrophobicContact CD2-CD1 4.33Å; F1704-L1708 HydrophobicContact CE1-CD1 3.31Å; F1704-L1708 HydrophobicContact CE1-CG 4.44Å; F1704-L1708 HydrophobicContact CE2-CD1 3.93Å; F1704-L1708 HydrophobicContact CE2-CG 4.27Å; F1704-L1708 HydrophobicContact CG-CD1 4.26Å; F1704-L1708 HydrophobicContact CZ-CD1 3.42Å; F1704-L1708 VanDerWaalsContact CZ-CD1 3.42Å; F1704-L1708 HydrophobicContact CZ-CG 4.22Å; F1704-L1708 WeakPolarHBondContact O-CB 3.19Å; F1704-L1708 WeakPolarHBondContact O-CG 3.49Å; F1704-L1708 PolarHBondContact O-N 3.01Å; F1704-A1721 HydrophobicContact CE1-CB 3.98Å |
| 1705 | L | 81.2 | Confident | 77.1 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 176.9 | -73.6 | 165.7 | 0 | 0 | 0 | 112.3 | M1701 Y1702 I1707 L1708 I1709 A1718 A1721 V1722 A1730 | M1701-L1705 HydrophobicContact CG-CD1 4.06Å; M1701-L1705 WeakPolarHBondContact O-CB 3.16Å; M1701-L1705 WeakPolarHBondContact O-CG 3.17Å; M1701-L1705 PolarHBondContact O-N 3.27Å; Y1702-L1705 PolarHBondContact O-N 3.47Å; L1705-I1707 VanDerWaalsContact C-N 3.34Å; L1705-I1707 PolarHBondContact O-N 2.86Å; L1705-L1708 PolarHBondContact O-N 2.69Å; L1705-I1709 HydrophobicContact CB-CD1 4.29Å; L1705-I1709 VanDerWaalsContact O-CB 3.31Å; L1705-I1709 WeakPolarHBondContact O-CB 3.43Å; L1705-I1709 WeakPolarHBondContact O-CD1 3.4Å; L1705-I1709 WeakPolarHBondContact O-CG1 3.38Å; L1705-I1709 PolarHBondContact O-N 2.97Å; L1705-A1718 HydrophobicContact CD2-CB 3.69Å; L1705-A1721 HydrophobicContact CD2-CB 4.33Å; L1705-V1722 HydrophobicContact CD1-CG2 3.72Å; L1705-V1722 HydrophobicContact CD2-CG2 3.86Å; L1705-V1722 HydrophobicContact CG-CG2 4.48Å; L1705-A1730 HydrophobicContact CD1-CB 3.36Å |
| 1706 | R | 82.6 | Confident | 77.8 | Confident | 123 Ų | 123 | 52.3 Ų | 52.3 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.3 | -166.8 | -174.6 | 81.9 | 169.2 | 3.8 | 111.8 | E1667 Y1702 R1703 F1704 G1710 | E1667-R1706 IonicContact OE1-CZ 2.77Å; E1667-R1706 IonicContact OE1-NH2 3.37Å; E1667-R1706 PolarHBondContact OE1-NH2 3.36Å; Y1702-R1706 VanDerWaalsContact O-CB 3.27Å; Y1702-R1706 WeakPolarHBondContact O-CB 3.36Å; Y1702-R1706 PolarHBondContact O-N 3.32Å; R1703-R1706 PolarHBondContact O-N 3.35Å; F1704-R1706 PolarHBondContact O-N 2.74Å; R1706-G1710 WeakPolarHBondContact O-CA 3.11Å; R1706-G1710 PolarHBondContact O-N 3.2Å |
| 1707 | I | 83.4 | Confident | 78.7 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 177.3 | -68.4 | 168.6 | 0 | 0 | 0 | 110.4 | E1667 F1672 A1675 A1676 Y1679 R1703 F1704 L1705 P1711 L1712 | E1667-I1707 HydrophobicContact CG-CD1 4.28Å; F1672-I1707 HydrophobicContact CB-CG2 4.16Å; A1675-I1707 HydrophobicContact CB-CD1 4.24Å; A1676-I1707 HydrophobicContact CB-CG2 4.08Å; Y1679-I1707 HydrophobicContact CD2-CD1 3.76Å; Y1679-I1707 HydrophobicContact CE2-CD1 3.66Å; R1703-I1707 WeakPolarHBondContact O-CB 3.24Å; R1703-I1707 VanDerWaalsContact O-CG1 3.26Å; R1703-I1707 WeakPolarHBondContact O-CG1 3.36Å; R1703-I1707 PolarHBondContact O-N 3.22Å; F1704-I1707 PolarHBondContact O-N 3.29Å; L1705-I1707 VanDerWaalsContact C-N 3.34Å; L1705-I1707 PolarHBondContact O-N 2.86Å; I1707-P1711 HydrophobicContact CG2-CG 4.21Å; I1707-P1711 VanDerWaalsContact O-CD 3.25Å; I1707-P1711 WeakPolarHBondContact O-CD 3.1Å; I1707-P1711 WeakPolarHBondContact O-CG 3.41Å; I1707-L1712 HydrophobicContact CG2-CD1 3.72Å; I1707-L1712 HydrophobicContact CG2-CG 4.04Å; I1707-L1712 WeakPolarHBondContact O-CB 3.42Å; I1707-L1712 PolarHBondContact O-N 2.94Å |
| 1708 | L | 80.9 | Confident | 79.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -46.9 | 176.2 | -76.8 | 171.9 | 0 | 0 | 0 | 113.2 | F1704 L1705 L1712 G1713 K1714 E1717 A1718 | F1704-L1708 HydrophobicContact CD1-CD1 3.76Å; F1704-L1708 HydrophobicContact CD2-CD1 4.33Å; F1704-L1708 HydrophobicContact CE1-CD1 3.31Å; F1704-L1708 HydrophobicContact CE1-CG 4.44Å; F1704-L1708 HydrophobicContact CE2-CD1 3.93Å; F1704-L1708 HydrophobicContact CE2-CG 4.27Å; F1704-L1708 HydrophobicContact CG-CD1 4.26Å; F1704-L1708 HydrophobicContact CZ-CD1 3.42Å; F1704-L1708 VanDerWaalsContact CZ-CD1 3.42Å; F1704-L1708 HydrophobicContact CZ-CG 4.22Å; F1704-L1708 WeakPolarHBondContact O-CB 3.19Å; F1704-L1708 WeakPolarHBondContact O-CG 3.49Å; F1704-L1708 PolarHBondContact O-N 3.01Å; L1705-L1708 PolarHBondContact O-N 2.69Å; L1708-L1712 HydrophobicContact CD2-CD1 4.22Å; L1708-G1713 CarbonylContact O-C 3.55Å; L1708-G1713 PolarHBondContact O-N 2.74Å; L1708-G1713 VanDerWaalsContact O-N 3.1Å; L1708-K1714 HydrophobicContact CD2-CB 3.8Å; L1708-K1714 HydrophobicContact CD2-CD 4.22Å; L1708-K1714 PolarHBondContact O-N 3.21Å; L1708-E1717 HydrophobicContact CD1-CB 4.37Å; L1708-E1717 HydrophobicContact CD2-CB 4.13Å; L1708-E1717 WeakPolarHBondContact CD2-OE2 3.24Å; L1708-A1718 HydrophobicContact CB-CB 4.17Å; L1708-A1718 HydrophobicContact CD1-CB 4.34Å |
| 1709 | I | 81.4 | Confident | 79.8 | Confident | 28 Ų | 28 | 51 Ų | 51 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.2 | -33.7 | -176.8 | -61.8 | 162 | 0 | 0 | 0 | 111.2 | L1705 A1718 L1733 L1734 F1737 | L1705-I1709 HydrophobicContact CB-CD1 4.29Å; L1705-I1709 VanDerWaalsContact O-CB 3.31Å; L1705-I1709 WeakPolarHBondContact O-CB 3.43Å; L1705-I1709 WeakPolarHBondContact O-CD1 3.4Å; L1705-I1709 WeakPolarHBondContact O-CG1 3.38Å; L1705-I1709 PolarHBondContact O-N 2.97Å; I1709-A1718 HydrophobicContact CD1-CB 4.43Å; I1709-A1718 HydrophobicContact CG1-CB 3.87Å; I1709-L1733 HydrophobicContact CD1-CD2 3.52Å; I1709-L1734 HydrophobicContact CD1-CD1 3.66Å; I1709-L1734 HydrophobicContact CG1-CD1 4.19Å; I1709-F1737 HydrophobicContact CG2-CD2 3.48Å; I1709-F1737 VanDerWaalsContact CG2-CD2 3.48Å; I1709-F1737 HydrophobicContact CG2-CE2 3.65Å; I1709-F1737 HydrophobicContact CG2-CG 3.97Å; I1709-F1737 HydrophobicContact CG2-CZ 4.27Å |
| 1710 | G | 79.8 | Confident | 80.1 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 51% | 0.505 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -100 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1706 L1712 G1713 | R1706-G1710 WeakPolarHBondContact O-CA 3.11Å; R1706-G1710 PolarHBondContact O-N 3.2Å; G1710-L1712 PolarHBondContact O-N 3.26Å; G1710-G1713 PolarHBondContact O-N 3.36Å |
| 1711 | P | 77.4 | Confident | 80.2 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 51% | 0.506 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -30.2 | -169.4 | 22 | -31.9 | 0 | 0 | 0 | 115.5 | F1672 I1707 | F1672-P1711 HydrophobicContact CD1-CG 4.1Å; F1672-P1711 HydrophobicContact CD2-CB 4.13Å; F1672-P1711 HydrophobicContact CE1-CG 4.42Å; F1672-P1711 HydrophobicContact CE2-CB 4.38Å; F1672-P1711 HydrophobicContact CG-CB 4.2Å; F1672-P1711 HydrophobicContact CG-CG 4.18Å; I1707-P1711 HydrophobicContact CG2-CG 4.21Å; I1707-P1711 VanDerWaalsContact O-CD 3.25Å; I1707-P1711 WeakPolarHBondContact O-CD 3.1Å; I1707-P1711 WeakPolarHBondContact O-CG 3.41Å |
| 1712 | L | 80.3 | Confident | 80.2 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -18.5 | -179.9 | -67 | 174.8 | 0 | 0 | 0 | 113.8 | F1672 E1673 A1676 I1707 L1708 G1710 K1714 | F1672-L1712 HydrophobicContact CB-CD2 4.41Å; E1673-L1712 HydrophobicContact CG-CD2 3.85Å; A1676-L1712 HydrophobicContact CB-CD1 3.82Å; I1707-L1712 HydrophobicContact CG2-CD1 3.72Å; I1707-L1712 HydrophobicContact CG2-CG 4.04Å; I1707-L1712 WeakPolarHBondContact O-CB 3.42Å; I1707-L1712 PolarHBondContact O-N 2.94Å; L1708-L1712 HydrophobicContact CD2-CD1 4.22Å; G1710-L1712 PolarHBondContact O-N 3.26Å; L1712-K1714 HydrophobicContact CB-CG 4.19Å; L1712-K1714 WeakPolarHBondContact O-CG 2.95Å; L1712-K1714 PolarHBondContact O-N 3.32Å; L1712-K1714 VanDerWaalsContact O-N 3.11Å |
| 1713 | G | 78.3 | Confident | 80 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | trans | 61.8 | 14.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1708 G1710 V1715 | L1708-G1713 CarbonylContact O-C 3.55Å; L1708-G1713 PolarHBondContact O-N 2.74Å; L1708-G1713 VanDerWaalsContact O-N 3.1Å; G1710-G1713 PolarHBondContact O-N 3.36Å; G1713-V1715 PolarHBondContact O-N 2.71Å; G1713-V1715 VanDerWaalsContact O-N 3.14Å | ||
| 1714 | K | 81.4 | Confident | 79.6 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 35% | 0.352 | 29% | 0.285 | S | S | . | . | trans | -89.7 | 71.5 | -174.6 | -65 | -167.2 | -179.6 | -172.8 | 0 | 112 | L1708 L1712 E1716 E1717 A1718 | L1708-K1714 HydrophobicContact CD2-CB 3.8Å; L1708-K1714 HydrophobicContact CD2-CD 4.22Å; L1708-K1714 PolarHBondContact O-N 3.21Å; L1712-K1714 HydrophobicContact CB-CG 4.19Å; L1712-K1714 WeakPolarHBondContact O-CG 2.95Å; L1712-K1714 PolarHBondContact O-N 3.32Å; L1712-K1714 VanDerWaalsContact O-N 3.11Å; K1714-E1716 VanDerWaalsContact C-N 3.34Å; K1714-E1716 PolarHBondContact O-N 2.88Å; K1714-E1717 HydrophobicContact CB-CB 4.27Å; K1714-E1717 HydrophobicContact CB-CG 4.45Å; K1714-E1717 HydrophobicContact CD-CG 4.38Å; K1714-E1717 VanDerWaalsContact CD-OE1 3.31Å; K1714-E1717 WeakPolarHBondContact CD-OE1 3.17Å; K1714-E1717 WeakPolarHBondContact CD-OE2 3.49Å; K1714-E1717 IonicContact NZ-OE1 3.15Å; K1714-E1717 PolarHBondContact NZ-OE1 2.88Å; K1714-E1717 IonicContact NZ-OE2 3.6Å; K1714-E1717 PolarHBondContact NZ-OE2 3.36Å; K1714-E1717 PolarHBondContact O-N 3.29Å; K1714-A1718 PolarHBondContact O-N 2.93Å | ||
| 1715 | V | 80 | Confident | 79 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -35.2 | -175.2 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | G1713 A1718 V1719 F1737 F1738 | G1713-V1715 PolarHBondContact O-N 2.71Å; G1713-V1715 VanDerWaalsContact O-N 3.14Å; V1715-A1718 WeakPolarHBondContact O-CB 3.13Å; V1715-A1718 PolarHBondContact O-N 2.78Å; V1715-V1719 WeakPolarHBondContact O-CG2 3.16Å; V1715-V1719 PolarHBondContact O-N 3.29Å; V1715-F1737 HydrophobicContact CG1-CD1 4.44Å; V1715-F1737 HydrophobicContact CG1-CE1 3.74Å; V1715-F1737 HydrophobicContact CG2-CE1 4.01Å; V1715-F1737 HydrophobicContact CG2-CZ 3.95Å; V1715-F1738 HydrophobicContact CG1-CZ 4.4Å |
| 1716 | E | 80.8 | Confident | 78.4 | Confident | 171 Ų | 171 | 61.4 Ų | 61.4 | 80% | 0.799 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.7 | -42 | -179.7 | -65.2 | -168.1 | 164.2 | 0 | 0 | 112.6 | K1714 A1718 V1719 Y1720 | K1714-E1716 VanDerWaalsContact C-N 3.34Å; K1714-E1716 PolarHBondContact O-N 2.88Å; E1716-A1718 VanDerWaalsContact C-N 3.25Å; E1716-A1718 PolarHBondContact O-N 2.69Å; E1716-V1719 PolarHBondContact O-N 3.45Å; E1716-Y1720 PolarHBondContact O-N 3.25Å |
| 1717 | E | 80 | Confident | 78 | Confident | 92 Ų | 92 | 56.3 Ų | 56.3 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 173.2 | -70.9 | -179 | -167.4 | 0 | 0 | 110.7 | L1708 K1714 Y1720 A1721 | L1708-E1717 HydrophobicContact CD1-CB 4.37Å; L1708-E1717 HydrophobicContact CD2-CB 4.13Å; L1708-E1717 WeakPolarHBondContact CD2-OE2 3.24Å; K1714-E1717 HydrophobicContact CB-CB 4.27Å; K1714-E1717 HydrophobicContact CB-CG 4.45Å; K1714-E1717 HydrophobicContact CD-CG 4.38Å; K1714-E1717 VanDerWaalsContact CD-OE1 3.31Å; K1714-E1717 WeakPolarHBondContact CD-OE1 3.17Å; K1714-E1717 WeakPolarHBondContact CD-OE2 3.49Å; K1714-E1717 IonicContact NZ-OE1 3.15Å; K1714-E1717 PolarHBondContact NZ-OE1 2.88Å; K1714-E1717 IonicContact NZ-OE2 3.6Å; K1714-E1717 PolarHBondContact NZ-OE2 3.36Å; K1714-E1717 PolarHBondContact O-N 3.29Å; E1717-Y1720 PolarHBondContact O-N 3.19Å; E1717-A1721 WeakPolarHBondContact O-CB 3.46Å; E1717-A1721 PolarHBondContact O-N 3.15Å |
| 1718 | A | 77.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1705 L1708 I1709 K1714 V1715 E1716 A1721 V1722 L1734 | L1705-A1718 HydrophobicContact CD2-CB 3.69Å; L1708-A1718 HydrophobicContact CB-CB 4.17Å; L1708-A1718 HydrophobicContact CD1-CB 4.34Å; I1709-A1718 HydrophobicContact CD1-CB 4.43Å; I1709-A1718 HydrophobicContact CG1-CB 3.87Å; K1714-A1718 PolarHBondContact O-N 2.93Å; V1715-A1718 WeakPolarHBondContact O-CB 3.13Å; V1715-A1718 PolarHBondContact O-N 2.78Å; E1716-A1718 VanDerWaalsContact C-N 3.25Å; E1716-A1718 PolarHBondContact O-N 2.69Å; A1718-A1721 PolarHBondContact O-N 2.86Å; A1718-V1722 WeakPolarHBondContact O-CG2 3.31Å; A1718-V1722 PolarHBondContact O-N 3.11Å; A1718-L1734 HydrophobicContact CB-CD1 3.76Å |
| 1719 | V | 79.7 | Confident | 77.4 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | V1715 E1716 V1722 Q1723 L1734 F1738 | V1715-V1719 WeakPolarHBondContact O-CG2 3.16Å; V1715-V1719 PolarHBondContact O-N 3.29Å; E1716-V1719 PolarHBondContact O-N 3.45Å; V1719-V1722 PolarHBondContact O-N 2.71Å; V1719-Q1723 HydrophobicContact CG1-CG 4.45Å; V1719-Q1723 WeakPolarHBondContact O-CG 3.33Å; V1719-Q1723 PolarHBondContact O-N 2.97Å; V1719-L1734 HydrophobicContact CB-CD2 4.35Å; V1719-L1734 HydrophobicContact CG2-CD2 3.92Å; V1719-F1738 HydrophobicContact CG2-CE2 3.91Å; V1719-F1738 HydrophobicContact CG2-CZ 3.67Å |
| 1720 | Y | 81.2 | Confident | 77.1 | Confident | 145 Ų | 145 | 62.1 Ų | 62.1 | 57% | 0.569 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62 | -45 | 178.8 | -168.1 | -89.8 | 0 | 0 | 0 | 111.3 | E1716 E1717 V1722 Q1723 E1724 | E1716-Y1720 PolarHBondContact O-N 3.25Å; E1717-Y1720 PolarHBondContact O-N 3.19Å; Y1720-V1722 VanDerWaalsContact C-N 3.34Å; Y1720-V1722 PolarHBondContact O-N 3.12Å; Y1720-Q1723 PolarHBondContact O-N 3.42Å; Y1720-E1724 HydrophobicContact CD1-CG 4.5Å; Y1720-E1724 HydrophobicContact CE1-CG 3.97Å; Y1720-E1724 VanDerWaalsContact CE1-OE1 3.29Å; Y1720-E1724 WeakPolarHBondContact CE1-OE1 3.41Å; Y1720-E1724 PolarHBondContact O-N 3.13Å; Y1720-E1724 PolarHBondContact OH-OE1 3.14Å |
| 1721 | A | 76.4 | Confident | 77 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1704 L1705 E1717 A1718 S1725 | F1704-A1721 HydrophobicContact CE1-CB 3.98Å; L1705-A1721 HydrophobicContact CD2-CB 4.33Å; E1717-A1721 WeakPolarHBondContact O-CB 3.46Å; E1717-A1721 PolarHBondContact O-N 3.15Å; A1718-A1721 PolarHBondContact O-N 2.86Å; A1721-S1725 VanDerWaalsContact O-CB 3.24Å; A1721-S1725 WeakPolarHBondContact O-CB 3.21Å; A1721-S1725 PolarHBondContact O-N 2.87Å; A1721-S1725 PolarHBondContact O-OG 3.3Å |
| 1722 | V | 76.9 | Confident | 77.3 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 112 | L1705 A1718 V1719 Y1720 E1724 S1725 K1726 A1730 A1731 L1734 L1750 | L1705-V1722 HydrophobicContact CD1-CG2 3.72Å; L1705-V1722 HydrophobicContact CD2-CG2 3.86Å; L1705-V1722 HydrophobicContact CG-CG2 4.48Å; A1718-V1722 WeakPolarHBondContact O-CG2 3.31Å; A1718-V1722 PolarHBondContact O-N 3.11Å; V1719-V1722 PolarHBondContact O-N 2.71Å; Y1720-V1722 VanDerWaalsContact C-N 3.34Å; Y1720-V1722 PolarHBondContact O-N 3.12Å; V1722-E1724 VanDerWaalsContact C-N 3.29Å; V1722-E1724 PolarHBondContact O-N 2.97Å; V1722-S1725 WeakPolarHBondContact CA-OG 3.44Å; V1722-S1725 PolarHBondContact O-N 2.91Å; V1722-S1725 PolarHBondContact O-OG 3.29Å; V1722-K1726 PolarHBondContact O-N 2.84Å; V1722-K1726 VanDerWaalsContact O-N 3.07Å; V1722-A1730 HydrophobicContact CG2-CB 4.21Å; V1722-A1731 HydrophobicContact CG1-CB 3.75Å; V1722-L1734 HydrophobicContact CB-CD2 4.01Å; V1722-L1734 HydrophobicContact CG1-CD2 4.39Å; V1722-L1734 HydrophobicContact CG2-CB 4.16Å; V1722-L1734 HydrophobicContact CG2-CD1 4.44Å; V1722-L1734 HydrophobicContact CG2-CD2 3.89Å; V1722-L1734 HydrophobicContact CG2-CG 4.41Å; V1722-L1750 HydrophobicContact CB-CD2 4.48Å; V1722-L1750 HydrophobicContact CG1-CD2 3.98Å |
| 1723 | Q | 75.9 | Confident | 77.3 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 45% | 0.453 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 177 | -74.7 | -179.7 | -2.1 | 0 | 0 | 112.1 | V1719 Y1720 L1750 | V1719-Q1723 HydrophobicContact CG1-CG 4.45Å; V1719-Q1723 WeakPolarHBondContact O-CG 3.33Å; V1719-Q1723 PolarHBondContact O-N 2.97Å; Y1720-Q1723 PolarHBondContact O-N 3.42Å; Q1723-L1750 HydrophobicContact CG-CD2 4.39Å |
| 1724 | E | 74.4 | Confident | 77.5 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -76.4 | -40 | 175.7 | -85.3 | -150.1 | -170.9 | 0 | 0 | 113.8 | R1687 Y1720 V1722 | R1687-E1724 IonicContact CZ-OE2 3.71Å; R1687-E1724 VanDerWaalsContact CZ-OE2 3.23Å; R1687-E1724 IonicContact NH1-OE2 3.25Å; R1687-E1724 PolarHBondContact NH1-OE2 3.47Å; R1687-E1724 IonicContact NH2-OE2 3.5Å; R1687-E1724 PolarHBondContact NH2-OE2 2.9Å; Y1720-E1724 HydrophobicContact CD1-CG 4.5Å; Y1720-E1724 HydrophobicContact CE1-CG 3.97Å; Y1720-E1724 VanDerWaalsContact CE1-OE1 3.29Å; Y1720-E1724 WeakPolarHBondContact CE1-OE1 3.41Å; Y1720-E1724 PolarHBondContact O-N 3.13Å; Y1720-E1724 PolarHBondContact OH-OE1 3.14Å; V1722-E1724 VanDerWaalsContact C-N 3.29Å; V1722-E1724 PolarHBondContact O-N 2.97Å |
| 1725 | S | 69.3 | Low | 77.6 | Confident | 32 Ų | 32 | 54 Ų | 54 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.7 | -27.1 | -174.4 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | M1701 A1721 V1722 C1727 | M1701-S1725 WeakPolarHBondContact SD-CB 3.46Å; A1721-S1725 VanDerWaalsContact O-CB 3.24Å; A1721-S1725 WeakPolarHBondContact O-CB 3.21Å; A1721-S1725 PolarHBondContact O-N 2.87Å; A1721-S1725 PolarHBondContact O-OG 3.3Å; V1722-S1725 WeakPolarHBondContact CA-OG 3.44Å; V1722-S1725 PolarHBondContact O-N 2.91Å; V1722-S1725 PolarHBondContact O-OG 3.29Å; S1725-C1727 PolarHBondContact O-N 3.12Å |
| 1726 | K | 68.9 | Low | 77.7 | Confident | 131 Ų | 131 | 55.9 Ų | 55.9 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | trans | 51.4 | 22.4 | -172.4 | -58.1 | -178.7 | -179.3 | 176.6 | 0 | 113.6 | V1722 P1728 | V1722-K1726 PolarHBondContact O-N 2.84Å; V1722-K1726 VanDerWaalsContact O-N 3.07Å; K1726-P1728 WeakPolarHBondContact O-CD 3.43Å | ||
| 1727 | C | 73.6 | Confident | 77.9 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 11% | 0.108 | 25% | 0.249 | C | C | . | . | trans | -75.9 | 121.5 | -178.8 | -84.8 | 0 | 0 | 0 | 0 | 110.3 | Y1698 M1701 S1725 E1729 A1730 A1731 | Y1698-C1727 HydrophobicContact CD1-CB 4.28Å; Y1698-C1727 HydrophobicContact CE1-CB 3.74Å; Y1698-C1727 VanDerWaalsContact CE1-SG 3.56Å; M1701-C1727 HydrophobicContact CE-CB 4.27Å; M1701-C1727 WeakPolarHBondContact CE-SG 3.49Å; S1725-C1727 PolarHBondContact O-N 3.12Å; C1727-E1729 PolarHBondContact O-N 3.04Å; C1727-A1730 HydrophobicContact CB-CB 3.7Å; C1727-A1730 PolarHBondContact O-N 3.07Å; C1727-A1731 WeakPolarHBondContact O-CB 3.25Å; C1727-A1731 PolarHBondContact O-N 3.4Å | ||
| 1728 | P | 76.4 | Confident | 78 | Confident | 40 Ų | 40 | 47 Ų | 47 | 26% | 0.26 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.1 | -39.1 | -175.7 | 22.7 | -33.6 | 0 | 0 | 0 | 113.1 | Y1698 K1726 A1731 K1732 C1756 | Y1698-P1728 WeakPolarHBondContact OH-CD 3.48Å; K1726-P1728 WeakPolarHBondContact O-CD 3.43Å; P1728-A1731 PolarHBondContact O-N 3.03Å; P1728-K1732 VanDerWaalsContact O-CG 3.31Å; P1728-K1732 WeakPolarHBondContact O-CG 3.03Å; P1728-K1732 PolarHBondContact O-N 2.9Å; P1728-C1756 WeakPolarHBondContact CB-SG 3.22Å |
| 1729 | E | 76.4 | Confident | 78.3 | Confident | 110 Ų | 110 | 50.4 Ų | 50.4 | 51% | 0.514 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.9 | -37.6 | 179.5 | -74.5 | 151.2 | 170.3 | 0 | 0 | 112.9 | Y1698 C1727 A1731 K1732 L1733 | Y1698-E1729 HydrophobicContact CD1-CB 4.36Å; Y1698-E1729 WeakPolarHBondContact CD1-OE2 3.42Å; Y1698-E1729 WeakPolarHBondContact CE1-OE2 3.27Å; C1727-E1729 PolarHBondContact O-N 3.04Å; E1729-A1731 VanDerWaalsContact C-N 3.33Å; E1729-K1732 PolarHBondContact O-N 3.17Å; E1729-L1733 PolarHBondContact O-N 3.16Å |
| 1730 | A | 74.4 | Confident | 78.3 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1705 V1722 C1727 L1733 L1734 | L1705-A1730 HydrophobicContact CD1-CB 3.36Å; V1722-A1730 HydrophobicContact CG2-CB 4.21Å; C1727-A1730 HydrophobicContact CB-CB 3.7Å; C1727-A1730 PolarHBondContact O-N 3.07Å; A1730-L1733 PolarHBondContact O-N 3.11Å; A1730-L1734 PolarHBondContact O-N 3.27Å |
| 1731 | A | 78.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1722 C1727 P1728 E1729 L1734 A1735 A1754 | V1722-A1731 HydrophobicContact CG1-CB 3.75Å; C1727-A1731 WeakPolarHBondContact O-CB 3.25Å; C1727-A1731 PolarHBondContact O-N 3.4Å; P1728-A1731 PolarHBondContact O-N 3.03Å; E1729-A1731 VanDerWaalsContact C-N 3.33Å; A1731-L1734 PolarHBondContact O-N 3.44Å; A1731-A1735 WeakPolarHBondContact O-CA 3.33Å; A1731-A1735 WeakPolarHBondContact O-CB 3.32Å; A1731-A1735 PolarHBondContact O-N 3.3Å; A1731-A1754 HydrophobicContact CB-CB 3.32Å |
| 1732 | K | 82.1 | Confident | 78.3 | Confident | 94 Ų | 94 | 58.9 Ų | 58.9 | 41% | 0.409 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 173.4 | -76.6 | 178.3 | -173.3 | -154.6 | 0 | 112.7 | P1728 E1729 A1735 S1736 L1751 D1759 | P1728-K1732 VanDerWaalsContact O-CG 3.31Å; P1728-K1732 WeakPolarHBondContact O-CG 3.03Å; P1728-K1732 PolarHBondContact O-N 2.9Å; E1729-K1732 PolarHBondContact O-N 3.17Å; K1732-A1735 PolarHBondContact O-N 3.11Å; K1732-S1736 WeakPolarHBondContact O-CB 3Å; K1732-S1736 PolarHBondContact O-N 3.26Å; K1732-S1736 PolarHBondContact O-OG 3.32Å; K1732-L1751 HydrophobicContact CG-CD2 4.17Å; K1732-D1759 WeakPolarHBondContact CE-OD2 3.3Å; K1732-D1759 IonicContact NZ-OD1 3.08Å; K1732-D1759 IonicContact NZ-OD2 2.62Å; K1732-D1759 PolarHBondContact NZ-OD2 3.35Å |
| 1733 | L | 82 | Confident | 78.6 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 177.7 | -168.5 | 137.8 | 0 | 0 | 0 | 112 | Y1702 I1709 E1729 A1730 S1736 F1737 | Y1702-L1733 HydrophobicContact CD2-CD1 3.76Å; Y1702-L1733 HydrophobicContact CE1-CD1 4.48Å; Y1702-L1733 HydrophobicContact CE2-CD1 3.08Å; Y1702-L1733 HydrophobicContact CE2-CG 4.45Å; Y1702-L1733 VanDerWaalsContact CZ-CD1 3.48Å; I1709-L1733 HydrophobicContact CD1-CD2 3.52Å; E1729-L1733 PolarHBondContact O-N 3.16Å; A1730-L1733 PolarHBondContact O-N 3.11Å; L1733-S1736 PolarHBondContact O-OG 3.25Å; L1733-F1737 PolarHBondContact O-N 3.06Å |
| 1734 | L | 82.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 172.6 | -155 | 84 | 0 | 0 | 0 | 111.1 | I1709 A1718 V1719 V1722 A1730 A1731 F1737 F1738 L1750 | I1709-L1734 HydrophobicContact CD1-CD1 3.66Å; I1709-L1734 HydrophobicContact CG1-CD1 4.19Å; A1718-L1734 HydrophobicContact CB-CD1 3.76Å; V1719-L1734 HydrophobicContact CB-CD2 4.35Å; V1719-L1734 HydrophobicContact CG2-CD2 3.92Å; V1722-L1734 HydrophobicContact CB-CD2 4.01Å; V1722-L1734 HydrophobicContact CG1-CD2 4.39Å; V1722-L1734 HydrophobicContact CG2-CB 4.16Å; V1722-L1734 HydrophobicContact CG2-CD1 4.44Å; V1722-L1734 HydrophobicContact CG2-CD2 3.89Å; V1722-L1734 HydrophobicContact CG2-CG 4.41Å; A1730-L1734 PolarHBondContact O-N 3.27Å; A1731-L1734 PolarHBondContact O-N 3.44Å; L1734-F1737 WeakPolarHBondContact O-CB 3.46Å; L1734-F1737 PolarHBondContact O-N 3.01Å; L1734-F1738 HydrophobicContact CD2-CD2 4.41Å; L1734-F1738 HydrophobicContact CD2-CE2 3.75Å; L1734-F1738 HydrophobicContact CG-CD2 4.14Å; L1734-F1738 HydrophobicContact CG-CE2 3.75Å; L1734-F1738 WeakPolarHBondContact O-CD2 3.31Å; L1734-F1738 PolarHBondContact O-N 2.97Å; L1734-L1750 HydrophobicContact CD2-CD1 3.73Å; L1734-L1750 HydrophobicContact CD2-CD2 3.93Å; L1734-L1750 HydrophobicContact CD2-CG 4.48Å |
| 1735 | A | 82.4 | Confident | 79.4 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1731 K1732 F1737 F1738 I1739 A1747 L1751 | A1731-A1735 WeakPolarHBondContact O-CA 3.33Å; A1731-A1735 WeakPolarHBondContact O-CB 3.32Å; A1731-A1735 PolarHBondContact O-N 3.3Å; K1732-A1735 PolarHBondContact O-N 3.11Å; A1735-F1737 VanDerWaalsContact C-N 3.28Å; A1735-F1737 PolarHBondContact O-N 3.45Å; A1735-F1738 PolarHBondContact O-N 3.16Å; A1735-F1738 VanDerWaalsContact O-N 3.14Å; A1735-I1739 WeakPolarHBondContact O-CB 3.18Å; A1735-I1739 WeakPolarHBondContact O-CD1 3.4Å; A1735-I1739 WeakPolarHBondContact O-CG1 3.27Å; A1735-I1739 PolarHBondContact O-N 3.07Å; A1735-A1747 HydrophobicContact CB-CB 4.25Å; A1735-L1751 HydrophobicContact CB-CD1 4.19Å; A1735-L1751 HydrophobicContact CB-CD2 4.08Å; A1735-L1751 HydrophobicContact CB-CG 3.99Å |
| 1736 | S | 83.3 | Confident | 80 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -33.9 | 174.7 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | K1732 L1733 G1740 | K1732-S1736 WeakPolarHBondContact O-CB 3Å; K1732-S1736 PolarHBondContact O-N 3.26Å; K1732-S1736 PolarHBondContact O-OG 3.32Å; L1733-S1736 PolarHBondContact O-OG 3.25Å; S1736-G1740 PolarHBondContact O-N 3.27Å |
| 1737 | F | 83.4 | Confident | 80.7 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 23% | 0.232 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 170.3 | -179.6 | -97.3 | 0 | 0 | 0 | 112.6 | I1709 V1715 L1733 L1734 A1735 G1740 R1741 | I1709-F1737 HydrophobicContact CG2-CD2 3.48Å; I1709-F1737 VanDerWaalsContact CG2-CD2 3.48Å; I1709-F1737 HydrophobicContact CG2-CE2 3.65Å; I1709-F1737 HydrophobicContact CG2-CG 3.97Å; I1709-F1737 HydrophobicContact CG2-CZ 4.27Å; V1715-F1737 HydrophobicContact CG1-CD1 4.44Å; V1715-F1737 HydrophobicContact CG1-CE1 3.74Å; V1715-F1737 HydrophobicContact CG2-CE1 4.01Å; V1715-F1737 HydrophobicContact CG2-CZ 3.95Å; L1733-F1737 PolarHBondContact O-N 3.06Å; L1734-F1737 WeakPolarHBondContact O-CB 3.46Å; L1734-F1737 PolarHBondContact O-N 3.01Å; A1735-F1737 VanDerWaalsContact C-N 3.28Å; A1735-F1737 PolarHBondContact O-N 3.45Å; F1737-G1740 PolarHBondContact O-N 2.85Å; F1737-R1741 PolarHBondContact O-N 2.91Å; F1737-R1741 VanDerWaalsContact O-N 3.15Å |
| 1738 | F | 82.9 | Confident | 81.2 | Confident | 24 Ų | 24 | 49.5 Ų | 49.5 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.9 | -35.3 | 176.6 | -76.9 | -63.7 | 0 | 0 | 0 | 113.7 | V1715 V1719 L1734 A1735 G1740 R1741 N1742 D1743 A1747 L1750 | V1715-F1738 HydrophobicContact CG1-CZ 4.4Å; V1719-F1738 HydrophobicContact CG2-CE2 3.91Å; V1719-F1738 HydrophobicContact CG2-CZ 3.67Å; L1734-F1738 HydrophobicContact CD2-CD2 4.41Å; L1734-F1738 HydrophobicContact CD2-CE2 3.75Å; L1734-F1738 HydrophobicContact CG-CD2 4.14Å; L1734-F1738 HydrophobicContact CG-CE2 3.75Å; L1734-F1738 WeakPolarHBondContact O-CD2 3.31Å; L1734-F1738 PolarHBondContact O-N 2.97Å; A1735-F1738 PolarHBondContact O-N 3.16Å; A1735-F1738 VanDerWaalsContact O-N 3.14Å; F1738-G1740 VanDerWaalsContact C-N 3.32Å; F1738-R1741 CarbonylContact O-C 3.51Å; F1738-R1741 WeakPolarHBondContact O-CA 3.44Å; F1738-R1741 PolarHBondContact O-N 3.25Å; F1738-R1741 VanDerWaalsContact O-N 3.1Å; F1738-N1742 PolarHBondContact O-N 3.04Å; F1738-D1743 HydrophobicContact CD1-CB 4.44Å; F1738-D1743 PolarHBondContact O-N 3.49Å; F1738-A1747 HydrophobicContact CB-CB 4.22Å; F1738-L1750 HydrophobicContact CD2-CD1 3.56Å; F1738-L1750 HydrophobicContact CE2-CD1 3.46Å; F1738-L1750 VanDerWaalsContact CE2-CD1 3.46Å |
| 1739 | I | 83.1 | Confident | 81.4 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 171.3 | -66.7 | 159.9 | 0 | 0 | 0 | 109.3 | A1735 R1741 N1742 A1747 L1763 | A1735-I1739 WeakPolarHBondContact O-CB 3.18Å; A1735-I1739 WeakPolarHBondContact O-CD1 3.4Å; A1735-I1739 WeakPolarHBondContact O-CG1 3.27Å; A1735-I1739 PolarHBondContact O-N 3.07Å; I1739-R1741 PolarHBondContact O-N 3.16Å; I1739-N1742 PolarHBondContact O-N 3.21Å; I1739-A1747 HydrophobicContact CG1-CB 4.06Å; I1739-L1763 HydrophobicContact CD1-CD1 3.41Å; I1739-L1763 VanDerWaalsContact CD1-CD1 3.41Å; I1739-L1763 HydrophobicContact CG1-CD1 3.94Å |
| 1740 | G | 79.8 | Confident | 81.6 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 72% | 0.722 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.4 | -23.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1736 F1737 F1738 | S1736-G1740 PolarHBondContact O-N 3.27Å; F1737-G1740 PolarHBondContact O-N 2.85Å; F1738-G1740 VanDerWaalsContact C-N 3.32Å |
| 1741 | R | 82.2 | Confident | 82 | Confident | 160 Ų | 160 | 49.1 Ų | 49.1 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 6.5 | 173.7 | -86.7 | -172.1 | 163.9 | 162.5 | -0.6 | 114.5 | F1737 F1738 I1739 D1743 | F1737-R1741 PolarHBondContact O-N 2.91Å; F1737-R1741 VanDerWaalsContact O-N 3.15Å; F1738-R1741 CarbonylContact O-C 3.51Å; F1738-R1741 WeakPolarHBondContact O-CA 3.44Å; F1738-R1741 PolarHBondContact O-N 3.25Å; F1738-R1741 VanDerWaalsContact O-N 3.1Å; I1739-R1741 PolarHBondContact O-N 3.16Å; R1741-D1743 PolarHBondContact O-N 3.14Å |
| 1742 | N | 76.7 | Confident | 82.2 | Confident | 144 Ų | 144 | 49.4 Ų | 49.4 | 77% | 0.77 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 14.3 | -175.6 | -101.4 | -10.4 | 0 | 0 | 0 | 115.3 | F1738 I1739 N1744 | F1738-N1742 PolarHBondContact O-N 3.04Å; I1739-N1742 PolarHBondContact O-N 3.21Å; N1742-N1744 PolarHBondContact O-N 3.41Å |
| 1743 | D | 82.4 | Confident | 81.9 | Confident | 54 Ų | 54 | 48.8 Ų | 48.8 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | trans | -96.5 | 71.2 | 174.9 | -170.9 | 4.9 | 0 | 0 | 0 | 111.9 | F1738 R1741 S1745 S1746 A1747 | F1738-D1743 HydrophobicContact CD1-CB 4.44Å; F1738-D1743 PolarHBondContact O-N 3.49Å; R1741-D1743 PolarHBondContact O-N 3.14Å; D1743-S1745 PolarHBondContact O-N 3.43Å; D1743-S1745 WeakPolarHBondContact OD1-CB 3.22Å; D1743-S1745 PolarHBondContact OD1-N 3.19Å; D1743-S1745 PolarHBondContact OD1-OG 3.25Å; D1743-S1746 VanDerWaalsContact CG-OG 3.27Å; D1743-S1746 PolarHBondContact O-N 3.15Å; D1743-S1746 PolarHBondContact OD1-N 2.94Å; D1743-S1746 PolarHBondContact OD1-OG 2.73Å; D1743-S1746 VanDerWaalsContact OD2-CB 3.26Å; D1743-S1746 WeakPolarHBondContact OD2-CB 3.39Å; D1743-S1746 PolarHBondContact OD2-OG 2.98Å; D1743-A1747 PolarHBondContact O-N 3Å | ||
| 1744 | N | 83.5 | Confident | 81.6 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -22.4 | -179.4 | -62 | -21.8 | 0 | 0 | 0 | 112.6 | N1742 A1747 V1748 L1763 T1767 | N1742-N1744 PolarHBondContact O-N 3.41Å; N1744-A1747 PolarHBondContact O-N 3.49Å; N1744-V1748 WeakPolarHBondContact O-CG2 3.36Å; N1744-V1748 PolarHBondContact O-N 2.95Å; N1744-L1763 HydrophobicContact CB-CD2 4.22Å; N1744-T1767 HydrophobicContact CB-CG2 4.01Å; N1744-T1767 WeakPolarHBondContact ND2-CG2 3.03Å |
| 1745 | S | 83.2 | Confident | 81.3 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 178.3 | -1 | 0 | 0 | 0 | 0 | 111.6 | D1743 A1747 V1748 R1749 K1769 | D1743-S1745 PolarHBondContact O-N 3.43Å; D1743-S1745 WeakPolarHBondContact OD1-CB 3.22Å; D1743-S1745 PolarHBondContact OD1-N 3.19Å; D1743-S1745 PolarHBondContact OD1-OG 3.25Å; S1745-A1747 VanDerWaalsContact C-N 3.34Å; S1745-V1748 PolarHBondContact O-N 3.21Å; S1745-R1749 PolarHBondContact O-N 2.77Å; S1745-R1749 VanDerWaalsContact O-N 3.12Å; S1745-K1769 PolarHBondContact OG-NZ 3.12Å |
| 1746 | S | 82.4 | Confident | 81.2 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 177.6 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | D1743 R1749 L1750 | D1743-S1746 VanDerWaalsContact CG-OG 3.27Å; D1743-S1746 PolarHBondContact O-N 3.15Å; D1743-S1746 PolarHBondContact OD1-N 2.94Å; D1743-S1746 PolarHBondContact OD1-OG 2.73Å; D1743-S1746 VanDerWaalsContact OD2-CB 3.26Å; D1743-S1746 WeakPolarHBondContact OD2-CB 3.39Å; D1743-S1746 PolarHBondContact OD2-OG 2.98Å; S1746-R1749 PolarHBondContact O-N 2.85Å; S1746-L1750 WeakPolarHBondContact O-CB 3.31Å; S1746-L1750 WeakPolarHBondContact O-CD1 3.44Å; S1746-L1750 WeakPolarHBondContact O-CG 3.46Å; S1746-L1750 PolarHBondContact O-N 2.98Å |
| 1747 | A | 83.1 | Confident | 81 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -47.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1735 F1738 I1739 D1743 N1744 S1745 L1750 L1751 L1763 | A1735-A1747 HydrophobicContact CB-CB 4.25Å; F1738-A1747 HydrophobicContact CB-CB 4.22Å; I1739-A1747 HydrophobicContact CG1-CB 4.06Å; D1743-A1747 PolarHBondContact O-N 3Å; N1744-A1747 PolarHBondContact O-N 3.49Å; S1745-A1747 VanDerWaalsContact C-N 3.34Å; A1747-L1750 PolarHBondContact O-N 3.46Å; A1747-L1751 WeakPolarHBondContact O-CB 3.42Å; A1747-L1751 VanDerWaalsContact O-CG 3.3Å; A1747-L1751 WeakPolarHBondContact O-CG 3.46Å; A1747-L1751 PolarHBondContact O-N 3.4Å; A1747-L1763 HydrophobicContact CB-CD2 4.33Å |
| 1748 | V | 83.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | N1744 S1745 L1750 L1751 V1752 L1763 A1764 L1772 F1773 | N1744-V1748 WeakPolarHBondContact O-CG2 3.36Å; N1744-V1748 PolarHBondContact O-N 2.95Å; S1745-V1748 PolarHBondContact O-N 3.21Å; V1748-L1750 VanDerWaalsContact C-N 3.34Å; V1748-L1750 PolarHBondContact O-N 3.46Å; V1748-L1751 PolarHBondContact O-N 3.49Å; V1748-V1752 HydrophobicContact CG1-CG2 4.36Å; V1748-V1752 WeakPolarHBondContact O-CG2 3.44Å; V1748-V1752 PolarHBondContact O-N 2.99Å; V1748-L1763 HydrophobicContact CG2-CB 4.42Å; V1748-L1763 HydrophobicContact CG2-CD2 3.51Å; V1748-A1764 HydrophobicContact CG1-CB 4.28Å; V1748-A1764 HydrophobicContact CG2-CB 4.29Å; V1748-L1772 HydrophobicContact CB-CD2 4.37Å; V1748-L1772 HydrophobicContact CG1-CD2 4.36Å; V1748-F1773 HydrophobicContact CG1-CB 4.49Å |
| 1749 | R | 81.5 | Confident | 80.8 | Confident | 131 Ų | 131 | 53.1 Ų | 53.1 | 49% | 0.494 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 179.3 | -73.8 | -179.6 | -177.9 | 172.4 | 1.7 | 112.2 | S1745 S1746 V1752 L1753 L1772 T1776 | S1745-R1749 PolarHBondContact O-N 2.77Å; S1745-R1749 VanDerWaalsContact O-N 3.12Å; S1746-R1749 PolarHBondContact O-N 2.85Å; R1749-V1752 PolarHBondContact O-N 3.35Å; R1749-L1753 WeakPolarHBondContact O-CB 3.32Å; R1749-L1753 VanDerWaalsContact O-CG 3.23Å; R1749-L1753 WeakPolarHBondContact O-CG 3.33Å; R1749-L1753 PolarHBondContact O-N 3.02Å; R1749-L1772 HydrophobicContact CG-CD2 3.92Å; R1749-L1772 HydrophobicContact CG-CG 4.46Å; R1749-T1776 HydrophobicContact CG-CG2 4.34Å |
| 1750 | L | 81.5 | Confident | 80.7 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 177.8 | -84.8 | 157.2 | 0 | 0 | 0 | 111.8 | V1722 Q1723 L1734 F1738 S1746 A1747 V1748 V1752 L1753 A1754 | V1722-L1750 HydrophobicContact CB-CD2 4.48Å; V1722-L1750 HydrophobicContact CG1-CD2 3.98Å; Q1723-L1750 HydrophobicContact CG-CD2 4.39Å; L1734-L1750 HydrophobicContact CD2-CD1 3.73Å; L1734-L1750 HydrophobicContact CD2-CD2 3.93Å; L1734-L1750 HydrophobicContact CD2-CG 4.48Å; F1738-L1750 HydrophobicContact CD2-CD1 3.56Å; F1738-L1750 HydrophobicContact CE2-CD1 3.46Å; F1738-L1750 VanDerWaalsContact CE2-CD1 3.46Å; S1746-L1750 WeakPolarHBondContact O-CB 3.31Å; S1746-L1750 WeakPolarHBondContact O-CD1 3.44Å; S1746-L1750 WeakPolarHBondContact O-CG 3.46Å; S1746-L1750 PolarHBondContact O-N 2.98Å; A1747-L1750 PolarHBondContact O-N 3.46Å; V1748-L1750 VanDerWaalsContact C-N 3.34Å; V1748-L1750 PolarHBondContact O-N 3.46Å; L1750-V1752 PolarHBondContact O-N 2.93Å; L1750-L1753 PolarHBondContact O-N 3.32Å; L1750-A1754 VanDerWaalsContact O-CB 3.32Å; L1750-A1754 WeakPolarHBondContact O-CB 3.26Å; L1750-A1754 PolarHBondContact O-N 3.41Å |
| 1751 | L | 82.2 | Confident | 80.8 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 178 | -70.3 | 169.1 | 0 | 0 | 0 | 112 | K1732 A1735 A1747 V1748 G1755 C1756 D1759 A1760 L1763 | K1732-L1751 HydrophobicContact CG-CD2 4.17Å; A1735-L1751 HydrophobicContact CB-CD1 4.19Å; A1735-L1751 HydrophobicContact CB-CD2 4.08Å; A1735-L1751 HydrophobicContact CB-CG 3.99Å; A1747-L1751 WeakPolarHBondContact O-CB 3.42Å; A1747-L1751 VanDerWaalsContact O-CG 3.3Å; A1747-L1751 WeakPolarHBondContact O-CG 3.46Å; A1747-L1751 PolarHBondContact O-N 3.4Å; V1748-L1751 PolarHBondContact O-N 3.49Å; L1751-G1755 PolarHBondContact O-N 3.1Å; L1751-C1756 HydrophobicContact CB-CB 4.31Å; L1751-C1756 HydrophobicContact CD2-CB 3.98Å; L1751-C1756 PolarHBondContact O-N 3.11Å; L1751-D1759 HydrophobicContact CD1-CB 4.39Å; L1751-A1760 HydrophobicContact CB-CB 3.65Å; L1751-L1763 HydrophobicContact CD1-CD1 4.33Å |
| 1752 | V | 82.2 | Confident | 80.8 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.3 | -45.2 | 173.5 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | V1748 R1749 L1750 A1754 G1755 A1760 F1773 I1777 | V1748-V1752 HydrophobicContact CG1-CG2 4.36Å; V1748-V1752 WeakPolarHBondContact O-CG2 3.44Å; V1748-V1752 PolarHBondContact O-N 2.99Å; R1749-V1752 PolarHBondContact O-N 3.35Å; L1750-V1752 PolarHBondContact O-N 2.93Å; V1752-A1754 PolarHBondContact O-N 3.47Å; V1752-G1755 PolarHBondContact O-N 3.15Å; V1752-A1760 HydrophobicContact CG2-CB 3.63Å; V1752-F1773 HydrophobicContact CG2-CD2 3.46Å; V1752-F1773 VanDerWaalsContact CG2-CD2 3.46Å; V1752-F1773 HydrophobicContact CG2-CE2 3.85Å; V1752-F1773 HydrophobicContact CG2-CG 4.4Å; V1752-I1777 HydrophobicContact CG1-CG1 4.07Å |
| 1753 | L | 75.9 | Confident | 81.1 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62 | -33.1 | 178.2 | -75.5 | 167.6 | 0 | 0 | 0 | 112.4 | R1749 L1750 G1755 | R1749-L1753 WeakPolarHBondContact O-CB 3.32Å; R1749-L1753 VanDerWaalsContact O-CG 3.23Å; R1749-L1753 WeakPolarHBondContact O-CG 3.33Å; R1749-L1753 PolarHBondContact O-N 3.02Å; L1750-L1753 PolarHBondContact O-N 3.32Å; L1753-G1755 VanDerWaalsContact C-N 3.31Å |
| 1754 | A | 75.1 | Confident | 81.1 | Confident | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1731 L1750 V1752 C1756 | A1731-A1754 HydrophobicContact CB-CB 3.32Å; L1750-A1754 VanDerWaalsContact O-CB 3.32Å; L1750-A1754 WeakPolarHBondContact O-CB 3.26Å; L1750-A1754 PolarHBondContact O-N 3.41Å; V1752-A1754 PolarHBondContact O-N 3.47Å; A1754-C1756 VanDerWaalsContact C-N 3.29Å; A1754-C1756 PolarHBondContact O-N 3.42Å |
| 1755 | G | 76.5 | Confident | 81 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 53% | 0.526 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 3.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1751 V1752 L1753 T1757 | L1751-G1755 PolarHBondContact O-N 3.1Å; V1752-G1755 PolarHBondContact O-N 3.15Å; L1753-G1755 VanDerWaalsContact C-N 3.31Å; G1755-T1757 PolarHBondContact O-N 3.17Å |
| 1756 | C | 79.7 | Confident | 81 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 10% | 0.095 | 27% | 0.274 | C | S | . | . | trans | -74.1 | 58.5 | 171.3 | -72.3 | 0 | 0 | 0 | 0 | 111.1 | P1728 L1751 A1754 A1758 D1759 A1760 | P1728-C1756 WeakPolarHBondContact CB-SG 3.22Å; L1751-C1756 HydrophobicContact CB-CB 4.31Å; L1751-C1756 HydrophobicContact CD2-CB 3.98Å; L1751-C1756 PolarHBondContact O-N 3.11Å; A1754-C1756 VanDerWaalsContact C-N 3.29Å; A1754-C1756 PolarHBondContact O-N 3.42Å; C1756-A1758 VanDerWaalsContact C-N 3.26Å; C1756-A1758 PolarHBondContact O-N 2.85Å; C1756-D1759 HydrophobicContact CB-CB 4.32Å; C1756-D1759 PolarHBondContact O-N 3.2Å; C1756-A1760 VanDerWaalsContact O-CB 3.22Å; C1756-A1760 WeakPolarHBondContact O-CB 3.4Å; C1756-A1760 PolarHBondContact O-N 3.39Å | ||
| 1757 | T | 79.2 | Confident | 80.9 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 44% | 0.436 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -32.5 | -174.4 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | G1755 M1761 F1773 | G1755-T1757 PolarHBondContact O-N 3.17Å; T1757-M1761 WeakPolarHBondContact O-CB 3.49Å; T1757-M1761 PolarHBondContact O-N 3.37Å; T1757-F1773 WeakPolarHBondContact O-CE2 3.45Å |
| 1758 | A | 81.8 | Confident | 80.5 | Confident | 71 Ų | 71 | 56 Ų | 56 | 59% | 0.587 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.5 | -53.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1756 A1760 M1761 E1762 | C1756-A1758 VanDerWaalsContact C-N 3.26Å; C1756-A1758 PolarHBondContact O-N 2.85Å; A1758-A1760 VanDerWaalsContact C-N 3.34Å; A1758-A1760 PolarHBondContact O-N 3.4Å; A1758-M1761 PolarHBondContact O-N 3.34Å; A1758-M1761 VanDerWaalsContact O-N 3.16Å; A1758-E1762 WeakPolarHBondContact O-CB 3.4Å; A1758-E1762 PolarHBondContact O-N 3.22Å |
| 1759 | D | 81 | Confident | 80.2 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 178.8 | -56.6 | -51.1 | 0 | 0 | 0 | 111.1 | K1732 L1751 C1756 M1761 E1762 L1763 | K1732-D1759 WeakPolarHBondContact CE-OD2 3.3Å; K1732-D1759 IonicContact NZ-OD1 3.08Å; K1732-D1759 IonicContact NZ-OD2 2.62Å; K1732-D1759 PolarHBondContact NZ-OD2 3.35Å; L1751-D1759 HydrophobicContact CD1-CB 4.39Å; C1756-D1759 HydrophobicContact CB-CB 4.32Å; C1756-D1759 PolarHBondContact O-N 3.2Å; D1759-M1761 VanDerWaalsContact C-N 3.32Å; D1759-M1761 PolarHBondContact O-N 2.81Å; D1759-E1762 PolarHBondContact O-N 2.75Å; D1759-L1763 VanDerWaalsContact O-CB 3.25Å; D1759-L1763 WeakPolarHBondContact O-CB 3.45Å; D1759-L1763 PolarHBondContact O-N 3.39Å |
| 1760 | A | 80.1 | Confident | 80 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1751 V1752 C1756 A1758 A1764 F1773 | L1751-A1760 HydrophobicContact CB-CB 3.65Å; V1752-A1760 HydrophobicContact CG2-CB 3.63Å; C1756-A1760 VanDerWaalsContact O-CB 3.22Å; C1756-A1760 WeakPolarHBondContact O-CB 3.4Å; C1756-A1760 PolarHBondContact O-N 3.39Å; A1758-A1760 VanDerWaalsContact C-N 3.34Å; A1758-A1760 PolarHBondContact O-N 3.4Å; A1760-A1764 WeakPolarHBondContact O-CB 3.26Å; A1760-A1764 PolarHBondContact O-N 3.46Å; A1760-F1773 HydrophobicContact CB-CD2 3.95Å; A1760-F1773 HydrophobicContact CB-CE2 3.88Å |
| 1761 | M | 82.5 | Confident | 79.8 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 39% | 0.389 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.4 | -38.9 | 177.2 | 179.3 | 177.1 | -90.3 | 0 | 0 | 111.2 | T1757 A1758 D1759 A1764 K1765 F1773 | T1757-M1761 WeakPolarHBondContact O-CB 3.49Å; T1757-M1761 PolarHBondContact O-N 3.37Å; A1758-M1761 PolarHBondContact O-N 3.34Å; A1758-M1761 VanDerWaalsContact O-N 3.16Å; D1759-M1761 VanDerWaalsContact C-N 3.32Å; D1759-M1761 PolarHBondContact O-N 2.81Å; M1761-A1764 PolarHBondContact O-N 3.28Å; M1761-K1765 HydrophobicContact CG-CD 4.17Å; M1761-K1765 HydrophobicContact CG-CG 4.4Å; M1761-K1765 VanDerWaalsContact O-CB 3.26Å; M1761-K1765 WeakPolarHBondContact O-CB 3.48Å; M1761-K1765 VanDerWaalsContact O-CG 3.23Å; M1761-K1765 WeakPolarHBondContact O-CG 3.25Å; M1761-K1765 PolarHBondContact O-N 2.82Å; M1761-F1773 HydrophobicContact CB-CE2 4.07Å; M1761-F1773 HydrophobicContact CB-CZ 4.1Å; M1761-F1773 HydrophobicContact CE-CE1 3.8Å; M1761-F1773 HydrophobicContact CE-CZ 4.18Å |
| 1762 | E | 83.4 | Confident | 79.7 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.6 | -38.9 | 178.2 | -153.9 | 169.3 | -143.3 | 0 | 0 | 111.3 | A1758 D1759 K1765 S1766 | A1758-E1762 WeakPolarHBondContact O-CB 3.4Å; A1758-E1762 PolarHBondContact O-N 3.22Å; D1759-E1762 PolarHBondContact O-N 2.75Å; E1762-K1765 PolarHBondContact O-N 3.41Å; E1762-S1766 PolarHBondContact O-N 3.15Å; E1762-S1766 PolarHBondContact O-OG 3.31Å; E1762-S1766 VanDerWaalsContact O-OG 3.13Å |
| 1763 | L | 82.9 | Confident | 79.7 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 15% | 0.152 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.7 | -37.5 | 173.6 | -153.8 | 137.6 | 0 | 0 | 0 | 112.1 | I1739 N1744 A1747 V1748 L1751 D1759 S1766 T1767 | I1739-L1763 HydrophobicContact CD1-CD1 3.41Å; I1739-L1763 VanDerWaalsContact CD1-CD1 3.41Å; I1739-L1763 HydrophobicContact CG1-CD1 3.94Å; N1744-L1763 HydrophobicContact CB-CD2 4.22Å; A1747-L1763 HydrophobicContact CB-CD2 4.33Å; V1748-L1763 HydrophobicContact CG2-CB 4.42Å; V1748-L1763 HydrophobicContact CG2-CD2 3.51Å; L1751-L1763 HydrophobicContact CD1-CD1 4.33Å; D1759-L1763 VanDerWaalsContact O-CB 3.25Å; D1759-L1763 WeakPolarHBondContact O-CB 3.45Å; D1759-L1763 PolarHBondContact O-N 3.39Å; L1763-S1766 WeakPolarHBondContact CA-OG 3.47Å; L1763-S1766 PolarHBondContact O-N 3.13Å; L1763-S1766 PolarHBondContact O-OG 3.05Å; L1763-T1767 HydrophobicContact CD2-CG2 4.41Å; L1763-T1767 WeakPolarHBondContact O-CB 3.49Å; L1763-T1767 WeakPolarHBondContact O-CG2 3.32Å; L1763-T1767 PolarHBondContact O-N 3.14Å; L1763-T1767 VanDerWaalsContact O-N 3.13Å; L1763-T1767 PolarHBondContact O-OG1 3.08Å |
| 1764 | A | 80.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1748 A1760 M1761 D1768 K1769 F1773 | V1748-A1764 HydrophobicContact CG1-CB 4.28Å; V1748-A1764 HydrophobicContact CG2-CB 4.29Å; A1760-A1764 WeakPolarHBondContact O-CB 3.26Å; A1760-A1764 PolarHBondContact O-N 3.46Å; M1761-A1764 PolarHBondContact O-N 3.28Å; A1764-D1768 PolarHBondContact O-N 3Å; A1764-D1768 VanDerWaalsContact O-N 3.16Å; A1764-K1769 PolarHBondContact O-N 3.06Å; A1764-F1773 HydrophobicContact CB-CB 4.2Å |
| 1765 | K | 82.6 | Confident | 80 | Confident | 137 Ų | 137 | 71.7 Ų | 71.7 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.7 | -41.4 | 174.2 | -81.2 | 176.2 | 179.7 | 176.8 | 0 | 112.2 | M1761 E1762 T1767 | M1761-K1765 HydrophobicContact CG-CD 4.17Å; M1761-K1765 HydrophobicContact CG-CG 4.4Å; M1761-K1765 VanDerWaalsContact O-CB 3.26Å; M1761-K1765 WeakPolarHBondContact O-CB 3.48Å; M1761-K1765 VanDerWaalsContact O-CG 3.23Å; M1761-K1765 WeakPolarHBondContact O-CG 3.25Å; M1761-K1765 PolarHBondContact O-N 2.82Å; E1762-K1765 PolarHBondContact O-N 3.41Å; K1765-T1767 VanDerWaalsContact C-N 3.28Å; K1765-T1767 PolarHBondContact O-N 2.82Å |
| 1766 | S | 83.3 | Confident | 79.9 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 66% | 0.657 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -74.1 | -18.5 | 179.1 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | E1762 L1763 | E1762-S1766 PolarHBondContact O-N 3.15Å; E1762-S1766 PolarHBondContact O-OG 3.31Å; E1762-S1766 VanDerWaalsContact O-OG 3.13Å; L1763-S1766 WeakPolarHBondContact CA-OG 3.47Å; L1763-S1766 PolarHBondContact O-N 3.13Å; L1763-S1766 PolarHBondContact O-OG 3.05Å |
| 1767 | T | 78.7 | Confident | 79.8 | Confident | 37 Ų | 37 | 74.1 Ų | 74.1 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 7.5 | -177.2 | 61.8 | 0 | 0 | 0 | 0 | 114.7 | N1744 L1763 K1765 K1769 | N1744-T1767 HydrophobicContact CB-CG2 4.01Å; N1744-T1767 WeakPolarHBondContact ND2-CG2 3.03Å; L1763-T1767 HydrophobicContact CD2-CG2 4.41Å; L1763-T1767 WeakPolarHBondContact O-CB 3.49Å; L1763-T1767 WeakPolarHBondContact O-CG2 3.32Å; L1763-T1767 PolarHBondContact O-N 3.14Å; L1763-T1767 VanDerWaalsContact O-N 3.13Å; L1763-T1767 PolarHBondContact O-OG1 3.08Å; K1765-T1767 VanDerWaalsContact C-N 3.28Å; K1765-T1767 PolarHBondContact O-N 2.82Å; T1767-K1769 VanDerWaalsContact C-N 3.25Å; T1767-K1769 PolarHBondContact O-N 2.79Å |
| 1768 | D | 76.3 | Confident | 79.3 | Confident | 155 Ų | 155 | 73.9 Ų | 73.9 | 83% | 0.829 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 32 | -179.2 | -112 | -1.3 | 0 | 0 | 0 | 114.2 | A1764 | A1764-D1768 PolarHBondContact O-N 3Å; A1764-D1768 VanDerWaalsContact O-N 3.16Å |
| 1769 | K | 76.6 | Confident | 78.7 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 31% | 0.313 | 43% | 0.429 | S | S | . | . | trans | -110.1 | 32.4 | -179.5 | -68.7 | -172 | -179.4 | 178.2 | 0 | 113.6 | S1745 A1764 T1767 E1771 L1772 | S1745-K1769 PolarHBondContact OG-NZ 3.12Å; A1764-K1769 PolarHBondContact O-N 3.06Å; T1767-K1769 VanDerWaalsContact C-N 3.25Å; T1767-K1769 PolarHBondContact O-N 2.79Å; K1769-E1771 VanDerWaalsContact C-N 3.26Å; K1769-E1771 PolarHBondContact O-N 2.87Å; K1769-L1772 HydrophobicContact CB-CB 4.45Å; K1769-L1772 WeakPolarHBondContact O-CB 3.4Å; K1769-L1772 PolarHBondContact O-N 3.29Å; K1769-L1772 VanDerWaalsContact O-N 3.1Å | ||
| 1770 | V | 77 | Confident | 77.7 | Confident | 75 Ų | 75 | 82.3 Ų | 82.3 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61 | -30.9 | -175.3 | -176.4 | 0 | 0 | 0 | 0 | 112.9 | L1772 F1773 A1774 | V1770-L1772 VanDerWaalsContact C-N 3.33Å; V1770-L1772 PolarHBondContact O-N 2.69Å; V1770-F1773 WeakPolarHBondContact O-CB 3.21Å; V1770-F1773 PolarHBondContact O-N 3.34Å; V1770-A1774 PolarHBondContact O-N 3.2Å |
| 1771 | E | 78.6 | Confident | 76.6 | Confident | 172 Ų | 172 | 93.7 Ų | 93.7 | 80% | 0.804 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -38.7 | 175.3 | -67.8 | -173.7 | 160.6 | 0 | 0 | 112.7 | K1769 F1773 A1774 D1775 | K1769-E1771 VanDerWaalsContact C-N 3.26Å; K1769-E1771 PolarHBondContact O-N 2.87Å; E1771-F1773 PolarHBondContact O-N 2.86Å; E1771-A1774 PolarHBondContact O-N 3.39Å; E1771-D1775 PolarHBondContact O-N 3.37Å; E1771-D1775 VanDerWaalsContact O-N 3.17Å |
| 1772 | L | 79.4 | Confident | 75.4 | Confident | 43 Ų | 43 | 98.8 Ų | 98.8 | 23% | 0.225 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -64 | -32.6 | 179.2 | -158.7 | 86.4 | 0 | 0 | 0 | 111.9 | V1748 R1749 K1769 V1770 T1776 | V1748-L1772 HydrophobicContact CB-CD2 4.37Å; V1748-L1772 HydrophobicContact CG1-CD2 4.36Å; R1749-L1772 HydrophobicContact CG-CD2 3.92Å; R1749-L1772 HydrophobicContact CG-CG 4.46Å; K1769-L1772 HydrophobicContact CB-CB 4.45Å; K1769-L1772 WeakPolarHBondContact O-CB 3.4Å; K1769-L1772 PolarHBondContact O-N 3.29Å; K1769-L1772 VanDerWaalsContact O-N 3.1Å; V1770-L1772 VanDerWaalsContact C-N 3.33Å; V1770-L1772 PolarHBondContact O-N 2.69Å; L1772-T1776 PolarHBondContact O-OG1 3.49Å |
| 1773 | F | 81.8 | Confident | 74.2 | Confident | 21 Ų | 21 | 99.9 Ų | 99.9 | 9% | 0.092 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -70.6 | -39.7 | 176.4 | 175.4 | -89.2 | 0 | 0 | 0 | 111.6 | V1748 V1752 T1757 A1760 M1761 A1764 V1770 E1771 T1776 I1777 | V1748-F1773 HydrophobicContact CG1-CB 4.49Å; V1752-F1773 HydrophobicContact CG2-CD2 3.46Å; V1752-F1773 VanDerWaalsContact CG2-CD2 3.46Å; V1752-F1773 HydrophobicContact CG2-CE2 3.85Å; V1752-F1773 HydrophobicContact CG2-CG 4.4Å; T1757-F1773 WeakPolarHBondContact O-CE2 3.45Å; A1760-F1773 HydrophobicContact CB-CD2 3.95Å; A1760-F1773 HydrophobicContact CB-CE2 3.88Å; M1761-F1773 HydrophobicContact CB-CE2 4.07Å; M1761-F1773 HydrophobicContact CB-CZ 4.1Å; M1761-F1773 HydrophobicContact CE-CE1 3.8Å; M1761-F1773 HydrophobicContact CE-CZ 4.18Å; A1764-F1773 HydrophobicContact CB-CB 4.2Å; V1770-F1773 WeakPolarHBondContact O-CB 3.21Å; V1770-F1773 PolarHBondContact O-N 3.34Å; E1771-F1773 PolarHBondContact O-N 2.86Å; F1773-T1776 PolarHBondContact O-OG1 3.49Å; F1773-T1776 VanDerWaalsContact O-OG1 3.04Å; F1773-I1777 HydrophobicContact CD1-CD1 4.1Å; F1773-I1777 HydrophobicContact CE1-CD1 3.44Å; F1773-I1777 VanDerWaalsContact CE1-CD1 3.44Å; F1773-I1777 HydrophobicContact CE2-CD1 4.15Å; F1773-I1777 HydrophobicContact CZ-CD1 3.47Å; F1773-I1777 VanDerWaalsContact CZ-CD1 3.47Å |
| 1774 | A | 79 | Confident | 73.1 | Confident | 62 Ų | 62 | 105.7 Ų | 105.7 | 51% | 0.512 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1770 E1771 T1776 I1777 | V1770-A1774 PolarHBondContact O-N 3.2Å; E1771-A1774 PolarHBondContact O-N 3.39Å; A1774-T1776 VanDerWaalsContact C-N 3.26Å; A1774-T1776 PolarHBondContact O-N 3.22Å; A1774-I1777 PolarHBondContact O-N 2.92Å |
| 1775 | D | 79.5 | Confident | 72 | Confident | 132 Ų | 132 | 113.8 Ų | 113.8 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.8 | -31.6 | -179.1 | -96.1 | 1.3 | 0 | 0 | 0 | 113.4 | E1771 | E1771-D1775 PolarHBondContact O-N 3.37Å; E1771-D1775 VanDerWaalsContact O-N 3.17Å |
| 1776 | T | 74.4 | Confident | 71 | Confident | 39 Ų | 39 | 115 Ų | 115 | 24% | 0.239 | 60% | 0.602 | C | S | . | * | H | α-helix | trans | -78.5 | -29.9 | -177 | 40.2 | 0 | 0 | 0 | 0 | 113 | R1749 L1772 F1773 A1774 | R1749-T1776 HydrophobicContact CG-CG2 4.34Å; L1772-T1776 PolarHBondContact O-OG1 3.49Å; F1773-T1776 PolarHBondContact O-OG1 3.49Å; F1773-T1776 VanDerWaalsContact O-OG1 3.04Å; A1774-T1776 VanDerWaalsContact C-N 3.26Å; A1774-T1776 PolarHBondContact O-N 3.22Å |
| 1777 | I | 76.5 | Confident | 70.1 | Confident | 77 Ų | 77 | 119.1 Ų | 119.1 | 40% | 0.395 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.7 | -34.1 | 178.1 | -74.3 | 174.6 | 0 | 0 | 0 | 112.8 | V1752 F1773 A1774 K1779 | V1752-I1777 HydrophobicContact CG1-CG1 4.07Å; F1773-I1777 HydrophobicContact CD1-CD1 4.1Å; F1773-I1777 HydrophobicContact CE1-CD1 3.44Å; F1773-I1777 VanDerWaalsContact CE1-CD1 3.44Å; F1773-I1777 HydrophobicContact CE2-CD1 4.15Å; F1773-I1777 HydrophobicContact CZ-CD1 3.47Å; F1773-I1777 VanDerWaalsContact CZ-CD1 3.47Å; A1774-I1777 PolarHBondContact O-N 2.92Å; I1777-K1779 VanDerWaalsContact C-N 3.27Å; I1777-K1779 PolarHBondContact O-N 3.05Å |
| 1778 | G | 68.9 | Low | 69.3 | Low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -26.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1779 | K | 68.6 | Low | 68.5 | Low | 189 Ų | 189 | 126.1 Ų | 126.1 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -11.7 | -172.9 | -72.8 | 179.4 | 177.8 | 174.6 | 0 | 115.5 | I1777 | I1777-K1779 VanDerWaalsContact C-N 3.27Å; I1777-K1779 PolarHBondContact O-N 3.05Å |
| 1780 | Q | 61.2 | Low | 67.9 | Low | 114 Ų | 114 | 133.8 Ų | 133.8 | 53% | 0.533 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -85.7 | -17.8 | -169.9 | -91.7 | -174.1 | -12.4 | 0 | 0 | 117.2 | M1782 | Q1780-M1782 PolarHBondContact O-N 3.12Š|
| 1781 | R | 56.9 | Low | 67 | Low | 239 Ų | 239 | 139.3 Ų | 139.3 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -10.6 | -164.1 | -105.7 | 179.3 | 177.7 | 176 | -0.7 | 118.1 | ||
| 1782 | M | 56.3 | Low | 65.9 | Low | 185 Ų | 185 | 137.9 Ų | 137.9 | 91% | 0.911 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -7.8 | -164.6 | -143.7 | -168.1 | -89.8 | 0 | 0 | 116.6 | Q1780 | Q1780-M1782 PolarHBondContact O-N 3.12Š|
| 1783 | L | 59.7 | Low | 64.2 | Low | 159 Ų | 159 | 143.8 Ų | 143.8 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -94.7 | -5 | -163.5 | -106.1 | 130.6 | 0 | 0 | 0 | 117.8 | ||
| 1784 | I | 59.9 | Low | 63.3 | Low | 151 Ų | 151 | 149.9 Ų | 149.9 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -90.5 | -19 | -162.2 | -65.1 | 169.5 | 0 | 0 | 0 | 115.2 | L1786 | I1784-L1786 PolarHBondContact O-N 2.89Š|
| 1785 | L | 57 | Low | 62.5 | Low | 171 Ų | 171 | 154.5 Ų | 154.5 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -9.8 | -166.5 | -98.7 | 146.1 | 0 | 0 | 0 | 117.1 | ||
| 1786 | L | 62.2 | Low | 61.5 | Low | 162 Ų | 162 | 155.8 Ų | 155.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -5.3 | -166.5 | -102 | 150 | 0 | 0 | 0 | 116.6 | I1784 | I1784-L1786 PolarHBondContact O-N 2.89Š|
| 1787 | H | 63.6 | Low | 60.8 | Low | 182 Ų | 182 | 162.6 Ų | 162.6 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -94.6 | -7.7 | -171.8 | -97.9 | 20.5 | 0 | 0 | 0 | 116.5 | ||
| 1788 | F | 61 | Low | 59.8 | Low | 198 Ų | 198 | 168 Ų | 168 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -16.1 | -162.6 | -133.2 | -91.1 | 0 | 0 | 0 | 117.3 | ||
| 1789 | T | 61 | Low | 59.2 | Low | 140 Ų | 140 | 174.9 Ų | 174.9 | 86% | 0.859 | 86% | 0.862 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -4.4 | -168.7 | 42.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1790 | R | 63.9 | Low | 58.5 | Low | 234 Ų | 234 | 173.9 Ų | 173.9 | 88% | 0.883 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -91.4 | -1.2 | -173.7 | -109.8 | -178.7 | -180 | 176.3 | -0.6 | 116 | ||
| 1791 | F | 58.4 | Low | 58.3 | Low | 190 Ų | 190 | 178.5 Ų | 178.5 | 83% | 0.833 | 89% | 0.891 | S | S | * | * | trans | -105.3 | -0.8 | -162.5 | -145.2 | -91.8 | 0 | 0 | 0 | 116.1 | ||||
| 1792 | C | 54 | Low | 58.4 | Low | 143 Ų | 143 | 173.4 Ų | 173.4 | 97% | 0.966 | 89% | 0.89 | S | S | * | * | trans | -100.6 | 18.7 | -174.6 | -69.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1793 | S | 44.2 | Very low | 58.6 | Low | 166 Ų | 166 | 172.4 Ų | 172.4 | 100% | 1.161 | 89% | 0.888 | S | S | * | * | trans | -121.1 | 0 | 164.7 | 63.5 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 1,793 of 1,793 residues in 2572.6 ms
(Link to these results)